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

Systemtic Name: N-(4-dimethylaminophenyl)-2-[[5-(3-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-(m-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-dimethylaminophenyl)acetamide CAS Name: N-(4-dimethylaminophenyl)-2-[[5-(3-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-dimethylaminophenyl)-2-[[5-(3-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-(m-tolyl)-1,2,4-triazol-3-yl]thio]-N-(4-dimethylaminophenyl)acetamide Formula: C22H25N5OS MolecularWeight: 407.5318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(N2CC=C)SCC(=O)NC3=CC=C(C=C3)N(C)C

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(N2CC=C)SCC(=O)NC3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C22H25N5OS/c1-5-13-27-21(17-8-6-7-16(2)14-17)24-25-22(27)29-15-20(28)23-18-9-11-19(12-10-18)26(3)4/h5-12,14H,1,13,15H2,2-4H3,(H,23,28)