N-(2,4-dimethylphenyl)-2-(3-phenyl-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)ethanamide

Systemtic Name: N-(2,4-dimethylphenyl)-2-(3-phenyl-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)ethanamide Openeye Name: 2-(4-allyl-3-phenyl-5-thioxo-1,2,4-triazol-1-yl)-N-(2,4-dimethylphenyl)acetamide CAS Name: N-(2,4-dimethylphenyl)-2-(3-phenyl-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)acetamide IUPAC Name: N-(2,4-dimethylphenyl)-2-(3-phenyl-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)acetamide Traditional Name: 2-(4-allyl-3-phenyl-5-thioxo-1,2,4-triazol-1-yl)-N-(2,4-dimethylphenyl)acetamide Formula: C21H22N4OS MolecularWeight: 378.49058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CN2C(=S)N(C(=N2)C3=CC=CC=C3)CC=C)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CN2C(=S)N(C(=N2)C3=CC=CC=C3)CC=C)C

InChI

InChI=1S/C21H22N4OS/c1-4-12-24-20(17-8-6-5-7-9-17)23-25(21(24)27)14-19(26)22-18-11-10-15(2)13-16(18)3/h4-11,13H,1,12,14H2,2-3H3,(H,22,26)