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

Systemtic Name: 2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methyl-1-phenyl-butyl)ethanamide Openeye Name: 2-[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methyl-1-phenyl-butyl)acetamide CAS Name: 2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-N-(3-methyl-1-phenylbutyl)acetamide IUPAC Name: 2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methyl-1-phenylbutyl)acetamide Traditional Name: 2-[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-(3-methyl-1-phenyl-butyl)acetamide Formula: C21H28N4OS MolecularWeight: 384.53822

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=CC=C1)NC(=O)CSC2=NN=C(N2CC=C)C3CC3

Isomeric SMILES

CC(C)CC(C1=CC=CC=C1)NC(=O)CSC2=NN=C(N2CC=C)C3CC3

InChI

InChI=1S/C21H28N4OS/c1-4-12-25-20(17-10-11-17)23-24-21(25)27-14-19(26)22-18(13-15(2)3)16-8-6-5-7-9-16/h4-9,15,17-18H,1,10-14H2,2-3H3,(H,22,26)