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

Systemtic Name: 2-[[5-(4-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-phenyl-propanamide Openeye Name: 2-[[4-allyl-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-phenyl-propanamide CAS Name: 2-[[5-(4-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-methyl-N-phenylpropanamide IUPAC Name: 2-[[5-(4-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-phenylpropanamide Traditional Name: 2-[[4-allyl-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]thio]-N-methyl-N-phenyl-propionamide Formula: C21H21ClN4OS MolecularWeight: 412.93564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)C1=CC=CC=C1)SC2=NN=C(N2CC=C)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C(=O)N(C)C1=CC=CC=C1)SC2=NN=C(N2CC=C)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H21ClN4OS/c1-4-14-26-19(16-10-12-17(22)13-11-16)23-24-21(26)28-15(2)20(27)25(3)18-8-6-5-7-9-18/h4-13,15H,1,14H2,2-3H3