N-[2-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]-3-nitro-benzamide

Systemtic Name: N-[2-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]-3-nitro-benzamide Openeye Name: N-[2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-3-nitro-benzamide CAS Name: N-[2-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]-3-nitrobenzamide IUPAC Name: N-[2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-3-nitrobenzamide Traditional Name: N-[2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)thio]acetyl]-3-nitro-benzamide Formula: C19H17N5O4S MolecularWeight: 411.43438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC2=CC=CC=C2)SCC(=O)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NN=C(N1CC2=CC=CC=C2)SCC(=O)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H17N5O4S/c1-13-21-22-19(23(13)11-14-6-3-2-4-7-14)29-12-17(25)20-18(26)15-8-5-9-16(10-15)24(27)28/h2-10H,11-12H2,1H3,(H,20,25,26)