N-(4-methylphenyl)-2-[[5-(4-propan-2-ylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(4-methylphenyl)-2-[[5-(4-propan-2-ylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-(4-isopropylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(p-tolyl)acetamide CAS Name: N-(4-methylphenyl)-2-[[5-(4-propan-2-ylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-methylphenyl)-2-[[5-(4-propan-2-ylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[(4-allyl-5-p-cumenyl-1,2,4-triazol-3-yl)thio]-N-(p-tolyl)acetamide Formula: C23H26N4OS MolecularWeight: 406.54374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=C(C=C3)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C23H26N4OS/c1-5-14-27-22(19-10-8-18(9-11-19)16(2)3)25-26-23(27)29-15-21(28)24-20-12-6-17(4)7-13-20/h5-13,16H,1,14-15H2,2-4H3,(H,24,28)