(2S)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(thiophen-2-ylmethyl)propanamide

Systemtic Name: (2S)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(thiophen-2-ylmethyl)propanamide Openeye Name: (2S)-2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-thienylmethyl)propanamide CAS Name: (2S)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-N-(thiophen-2-ylmethyl)propanamide IUPAC Name: (2S)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(thiophen-2-ylmethyl)propanamide Traditional Name: (2S)-2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N-(2-thenyl)propionamide Formula: C19H20N4OS2 MolecularWeight: 384.5183

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CS1)SC2=NN=C(N2CC=C)C3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC=CS1)SC2=NN=C(N2CC=C)C3=CC=CC=C3

InChI

InChI=1S/C19H20N4OS2/c1-3-11-23-17(15-8-5-4-6-9-15)21-22-19(23)26-14(2)18(24)20-13-16-10-7-12-25-16/h3-10,12,14H,1,11,13H2,2H3,(H,20,24)/t14-/m0/s1