2-[[3-(4-chlorophenyl)-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-amino]-N-cyclopropyl-ethanamide

Systemtic Name: 2-[[3-(4-chlorophenyl)-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-amino]-N-cyclopropyl-ethanamide Openeye Name: 2-[[4-allyl-3-(4-chlorophenyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-amino]-N-cyclopropyl-acetamide CAS Name: 2-[[3-(4-chlorophenyl)-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methylamino]-N-cyclopropylacetamide IUPAC Name: 2-[[3-(4-chlorophenyl)-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methylamino]-N-cyclopropylacetamide Traditional Name: 2-[[4-allyl-3-(4-chlorophenyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-amino]-N-cyclopropyl-acetamide Formula: C18H22ClN5OS MolecularWeight: 391.91818

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1CC1)CN2C(=S)N(C(=N2)C3=CC=C(C=C3)Cl)CC=C

Isomeric SMILES

CN(CC(=O)NC1CC1)CN2C(=S)N(C(=N2)C3=CC=C(C=C3)Cl)CC=C

InChI

InChI=1S/C18H22ClN5OS/c1-3-10-23-17(13-4-6-14(19)7-5-13)21-24(18(23)26)12-22(2)11-16(25)20-15-8-9-15/h3-7,15H,1,8-12H2,2H3,(H,20,25)