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

Systemtic Name: 2-[[5-(4-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-N-propan-2-yl-ethanamide Openeye Name: 2-[[4-allyl-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-isopropyl-N-phenyl-acetamide CAS Name: 2-[[5-(4-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-phenyl-N-propan-2-ylacetamide IUPAC Name: 2-[[5-(4-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-N-propan-2-ylacetamide Traditional Name: 2-[[4-allyl-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]thio]-N-isopropyl-N-phenyl-acetamide Formula: C22H23ClN4OS MolecularWeight: 426.96222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1=CC=CC=C1)C(=O)CSC2=NN=C(N2CC=C)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)N(C1=CC=CC=C1)C(=O)CSC2=NN=C(N2CC=C)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H23ClN4OS/c1-4-14-26-21(17-10-12-18(23)13-11-17)24-25-22(26)29-15-20(28)27(16(2)3)19-8-6-5-7-9-19/h4-13,16H,1,14-15H2,2-3H3