N-[[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]methyl]naphthalene-1-carboxamide

Systemtic Name: N-[[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]methyl]naphthalene-1-carboxamide Openeye Name: N-[[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxo-ethyl]sulfanyl-4-(m-tolyl)-1,2,4-triazol-3-yl]methyl]naphthalene-1-carboxamide CAS Name: N-[[5-[[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]thio]-4-(3-methylphenyl)-1,2,4-triazol-3-yl]methyl]-1-naphthalenecarboxamide IUPAC Name: N-[[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]methyl]naphthalene-1-carboxamide Traditional Name: N-[[5-[[2-(1,3-benzothiazol-2-ylamino)-2-keto-ethyl]thio]-4-(m-tolyl)-1,2,4-triazol-3-yl]methyl]-1-naphthamide Formula: C30H24N6O2S2 MolecularWeight: 564.68056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=NN=C2SCC(=O)NC3=NC4=CC=CC=C4S3)CNC(=O)C5=CC=CC6=CC=CC=C65

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NN=C2SCC(=O)NC3=NC4=CC=CC=C4S3)CNC(=O)C5=CC=CC6=CC=CC=C65

InChI

InChI=1S/C30H24N6O2S2/c1-19-8-6-11-21(16-19)36-26(17-31-28(38)23-13-7-10-20-9-2-3-12-22(20)23)34-35-30(36)39-18-27(37)33-29-32-24-14-4-5-15-25(24)40-29/h2-16H,17-18H2,1H3,(H,31,38)(H,32,33,37)