N-(3-methylphenyl)-4-[[5-(4-nitrophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzamide

Systemtic Name: N-(3-methylphenyl)-4-[[5-(4-nitrophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzamide Openeye Name: 4-[[4-allyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-(m-tolyl)benzamide CAS Name: N-(3-methylphenyl)-4-[[[5-(4-nitrophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]methyl]benzamide IUPAC Name: N-(3-methylphenyl)-4-[[5-(4-nitrophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzamide Traditional Name: 4-[[[4-allyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]thio]methyl]-N-(m-tolyl)benzamide Formula: C26H23N5O3S MolecularWeight: 485.55752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C2=CC=C(C=C2)CSC3=NN=C(N3CC=C)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C2=CC=C(C=C2)CSC3=NN=C(N3CC=C)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H23N5O3S/c1-3-15-30-24(20-11-13-23(14-12-20)31(33)34)28-29-26(30)35-17-19-7-9-21(10-8-19)25(32)27-22-6-4-5-18(2)16-22/h3-14,16H,1,15,17H2,2H3,(H,27,32)