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

Systemtic Name: N-[(3-chlorophenyl)methyl]-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide Openeye Name: N-[(3-chlorophenyl)methyl]-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide CAS Name: N-[(3-chlorophenyl)methyl]-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitrobenzamide IUPAC Name: N-[(3-chlorophenyl)methyl]-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzamide Traditional Name: N-(3-chlorobenzyl)-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-benzamide Formula: C17H14ClN5O3S MolecularWeight: 403.84276

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)NCC3=CC(=CC=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)NCC3=CC(=CC=C3)Cl)[N+](=O)[O-]

InChI

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