N-[[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-4-(2,3-dimethylphenyl)-1,2,4-triazol-3-yl]methyl]-4-nitro-benzamide

Systemtic Name: N-[[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-4-(2,3-dimethylphenyl)-1,2,4-triazol-3-yl]methyl]-4-nitro-benzamide Openeye Name: N-[[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxo-ethyl]sulfanyl-4-(2,3-dimethylphenyl)-1,2,4-triazol-3-yl]methyl]-4-nitro-benzamide CAS Name: N-[[5-[[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]thio]-4-(2,3-dimethylphenyl)-1,2,4-triazol-3-yl]methyl]-4-nitrobenzamide IUPAC Name: N-[[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-4-(2,3-dimethylphenyl)-1,2,4-triazol-3-yl]methyl]-4-nitrobenzamide Traditional Name: N-[[5-[[2-(1,3-benzothiazol-2-ylamino)-2-keto-ethyl]thio]-4-(2,3-dimethylphenyl)-1,2,4-triazol-3-yl]methyl]-4-nitro-benzamide Formula: C27H23N7O4S2 MolecularWeight: 573.64602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C(=NN=C2SCC(=O)NC3=NC4=CC=CC=C4S3)CNC(=O)C5=CC=C(C=C5)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C(=NN=C2SCC(=O)NC3=NC4=CC=CC=C4S3)CNC(=O)C5=CC=C(C=C5)[N+](=O)[O-])C

InChI

InChI=1S/C27H23N7O4S2/c1-16-6-5-8-21(17(16)2)33-23(14-28-25(36)18-10-12-19(13-11-18)34(37)38)31-32-27(33)39-15-24(35)30-26-29-20-7-3-4-9-22(20)40-26/h3-13H,14-15H2,1-2H3,(H,28,36)(H,29,30,35)