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

Systemtic Name: N-[(3-chlorophenyl)methyl]-N-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide Openeye Name: N-[(3-chlorophenyl)methyl]-N-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide CAS Name: N-[(3-chlorophenyl)methyl]-N-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitrobenzamide IUPAC Name: N-[(3-chlorophenyl)methyl]-N-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzamide Traditional Name: N-(3-chlorobenzyl)-N-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-benzamide Formula: C18H16ClN5O3S MolecularWeight: 417.86934

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)N(C)CC3=CC(=CC=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)N(C)CC3=CC(=CC=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H16ClN5O3S/c1-22(10-12-4-3-5-14(19)8-12)17(25)13-6-7-16(15(9-13)24(26)27)28-18-21-20-11-23(18)2/h3-9,11H,10H2,1-2H3