2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-phenylbutyl)propanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)NC(=O)C(C)SC2=NN=C(N2CC=C)C3CC3

Isomeric SMILES

CCCC(C1=CC=CC=C1)NC(=O)C(C)SC2=NN=C(N2CC=C)C3CC3

InChI

InChI=1S/C21H28N4OS/c1-4-9-18(16-10-7-6-8-11-16)22-20(26)15(3)27-21-24-23-19(17-12-13-17)25(21)14-5-2/h5-8,10-11,15,17-18H,2,4,9,12-14H2,1,3H3,(H,22,26)