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

Systemtic Name: N-cyclopropyl-N-[(4-methylphenyl)methyl]-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide Openeye Name: N-cyclopropyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-(p-tolylmethyl)benzamide CAS Name: N-cyclopropyl-N-[(4-methylphenyl)methyl]-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitrobenzamide IUPAC Name: N-cyclopropyl-N-[(4-methylphenyl)methyl]-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzamide Traditional Name: N-cyclopropyl-N-(4-methylbenzyl)-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-benzamide Formula: C21H21N5O3S MolecularWeight: 423.48814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN(C2CC2)C(=O)C3=CC(=C(C=C3)SC4=NN=CN4C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CN(C2CC2)C(=O)C3=CC(=C(C=C3)SC4=NN=CN4C)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O3S/c1-14-3-5-15(6-4-14)12-25(17-8-9-17)20(27)16-7-10-19(18(11-16)26(28)29)30-21-23-22-13-24(21)2/h3-7,10-11,13,17H,8-9,12H2,1-2H3