N-(3-chloranyl-4-cyano-phenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide

Systemtic Name: N-(3-chloranyl-4-cyano-phenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide Openeye Name: N-(3-chloro-4-cyano-phenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide CAS Name: N-(3-chloro-4-cyanophenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitrobenzamide IUPAC Name: N-(3-chloro-4-cyanophenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzamide Traditional Name: N-(3-chloro-4-cyano-phenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-benzamide Formula: C17H11ClN6O3S MolecularWeight: 414.82564

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)NC3=CC(=C(C=C3)C#N)Cl)[N+](=O)[O-]

Isomeric SMILES

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)NC3=CC(=C(C=C3)C#N)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H11ClN6O3S/c1-23-9-20-22-17(23)28-15-5-3-10(6-14(15)24(26)27)16(25)21-12-4-2-11(8-19)13(18)7-12/h2-7,9H,1H3,(H,21,25)