(2S)-2-[(4-azanyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methylphenyl)propanamide

Systemtic Name: (2S)-2-[(4-azanyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methylphenyl)propanamide Openeye Name: (2S)-2-[[4-amino-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(p-tolyl)propanamide CAS Name: (2S)-2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-N-(4-methylphenyl)propanamide IUPAC Name: (2S)-2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methylphenyl)propanamide Traditional Name: (2S)-2-[[4-amino-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-N-(p-tolyl)propionamide Formula: C16H17N5OS2 MolecularWeight: 359.46908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C)SC2=NN=C(N2N)C3=CC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@H](C)SC2=NN=C(N2N)C3=CC=CS3

InChI

InChI=1S/C16H17N5OS2/c1-10-5-7-12(8-6-10)18-15(22)11(2)24-16-20-19-14(21(16)17)13-4-3-9-23-13/h3-9,11H,17H2,1-2H3,(H,18,22)/t11-/m0/s1