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

Systemtic Name: 2-[[3-(4-chlorophenyl)-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-amino]-N-propan-2-yl-ethanamide Openeye Name: 2-[[4-allyl-3-(4-chlorophenyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-amino]-N-isopropyl-acetamide CAS Name: 2-[[3-(4-chlorophenyl)-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methylamino]-N-propan-2-ylacetamide IUPAC Name: 2-[[3-(4-chlorophenyl)-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methylamino]-N-propan-2-ylacetamide Traditional Name: 2-[[4-allyl-3-(4-chlorophenyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-amino]-N-isopropyl-acetamide Formula: C18H24ClN5OS MolecularWeight: 393.93406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CN(C)CN1C(=S)N(C(=N1)C2=CC=C(C=C2)Cl)CC=C

Isomeric SMILES

CC(C)NC(=O)CN(C)CN1C(=S)N(C(=N1)C2=CC=C(C=C2)Cl)CC=C

InChI

InChI=1S/C18H24ClN5OS/c1-5-10-23-17(14-6-8-15(19)9-7-14)21-24(18(23)26)12-22(4)11-16(25)20-13(2)3/h5-9,13H,1,10-12H2,2-4H3,(H,20,25)