N-(2-methyl-1,3-benzothiazol-6-yl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide

Systemtic Name: N-(2-methyl-1,3-benzothiazol-6-yl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide Openeye Name: N-(2-methyl-1,3-benzothiazol-6-yl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide CAS Name: N-(2-methyl-1,3-benzothiazol-6-yl)-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitrobenzamide IUPAC Name: N-(2-methyl-1,3-benzothiazol-6-yl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzamide Traditional Name: N-(2-methyl-1,3-benzothiazol-6-yl)-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-benzamide Formula: C18H14N6O3S2 MolecularWeight: 426.47216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC(=C(C=C3)SC4=NN=CN4C)[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC(=C(C=C3)SC4=NN=CN4C)[N+](=O)[O-]

InChI

InChI=1S/C18H14N6O3S2/c1-10-20-13-5-4-12(8-16(13)28-10)21-17(25)11-3-6-15(14(7-11)24(26)27)29-18-22-19-9-23(18)2/h3-9H,1-2H3,(H,21,25)