(2S)-N-(4-ethylphenyl)-2-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: (2S)-N-(4-ethylphenyl)-2-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: (2S)-2-[(4-allyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethylphenyl)propanamide CAS Name: (2S)-N-(4-ethylphenyl)-2-[(4-prop-2-enyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: (2S)-N-(4-ethylphenyl)-2-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: (2S)-2-[(4-allyl-1,2,4-triazol-3-yl)thio]-N-(4-ethylphenyl)propionamide Formula: C16H20N4OS MolecularWeight: 316.4212

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C)SC2=NN=CN2CC=C

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)[C@H](C)SC2=NN=CN2CC=C

InChI

InChI=1S/C16H20N4OS/c1-4-10-20-11-17-19-16(20)22-12(3)15(21)18-14-8-6-13(5-2)7-9-14/h4,6-9,11-12H,1,5,10H2,2-3H3,(H,18,21)/t12-/m0/s1