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

Systemtic Name: N-(2-methyl-4-oxidanylidene-pentan-2-yl)-3-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: 3-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,1-dimethyl-3-oxo-butyl)propanamide CAS Name: N-(2-methyl-4-oxopentan-2-yl)-3-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(2-methyl-4-oxopentan-2-yl)-3-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: 3-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N-(3-keto-1,1-dimethyl-butyl)propionamide Formula: C20H26N4O2S MolecularWeight: 386.51104

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(C)(C)NC(=O)CCSC1=NN=C(N1CC=C)C2=CC=CC=C2

Isomeric SMILES

CC(=O)CC(C)(C)NC(=O)CCSC1=NN=C(N1CC=C)C2=CC=CC=C2

InChI

InChI=1S/C20H26N4O2S/c1-5-12-24-18(16-9-7-6-8-10-16)22-23-19(24)27-13-11-17(26)21-20(3,4)14-15(2)25/h5-10H,1,11-14H2,2-4H3,(H,21,26)