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

Systemtic Name: 4-[[4-(3-chloranyl-4-methyl-phenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-nitro-benzamide Openeye Name: 4-[[4-(3-chloro-4-methyl-phenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-nitro-benzamide CAS Name: 4-[[[4-(3-chloro-4-methylphenyl)-1,2,4-triazol-3-yl]thio]methyl]-3-nitrobenzamide IUPAC Name: 4-[[4-(3-chloro-4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-nitrobenzamide Traditional Name: 4-[[[4-(3-chloro-4-methyl-phenyl)-1,2,4-triazol-3-yl]thio]methyl]-3-nitro-benzamide Formula: C17H14ClN5O3S MolecularWeight: 403.84276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C=NN=C2SCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C=NN=C2SCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H14ClN5O3S/c1-10-2-5-13(7-14(10)18)22-9-20-21-17(22)27-8-12-4-3-11(16(19)24)6-15(12)23(25)26/h2-7,9H,8H2,1H3,(H2,19,24)