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

Systemtic Name: N-aminocarbonyl-2-[[5-(4-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-3-methyl-butanamide Openeye Name: 2-[[4-allyl-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-carbamoyl-3-methyl-butanamide CAS Name: N-carbamoyl-2-[[5-(4-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-3-methylbutanamide IUPAC Name: N-carbamoyl-2-[[5-(4-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-3-methylbutanamide Traditional Name: 2-[[4-allyl-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]thio]-N-carbamoyl-3-methyl-butyramide Formula: C17H20ClN5O2S MolecularWeight: 393.891

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(=O)N)SC1=NN=C(N1CC=C)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)C(C(=O)NC(=O)N)SC1=NN=C(N1CC=C)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H20ClN5O2S/c1-4-9-23-14(11-5-7-12(18)8-6-11)21-22-17(23)26-13(10(2)3)15(24)20-16(19)25/h4-8,10,13H,1,9H2,2-3H3,(H3,19,20,24,25)