2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-phenylpropyl)ethanamide

Systemtic Name: 2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-phenylpropyl)ethanamide Openeye Name: 2-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-phenylpropyl)acetamide CAS Name: 2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-N-(3-phenylpropyl)acetamide IUPAC Name: 2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-phenylpropyl)acetamide Traditional Name: 2-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)thio]-N-(3-phenylpropyl)acetamide Formula: C17H22N4OS MolecularWeight: 330.44778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC=C)SCC(=O)NCCCC2=CC=CC=C2

Isomeric SMILES

CC1=NN=C(N1CC=C)SCC(=O)NCCCC2=CC=CC=C2

InChI

InChI=1S/C17H22N4OS/c1-3-12-21-14(2)19-20-17(21)23-13-16(22)18-11-7-10-15-8-5-4-6-9-15/h3-6,8-9H,1,7,10-13H2,2H3,(H,18,22)