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

Systemtic Name: (2S)-2-[(4-azanyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methylphenyl)propanamide Openeye Name: (2S)-2-[[4-amino-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(p-tolyl)propanamide CAS Name: (2S)-2-[[4-amino-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-(4-methylphenyl)propanamide IUPAC Name: (2S)-2-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methylphenyl)propanamide Traditional Name: (2S)-2-[[4-amino-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(p-tolyl)propionamide Formula: C17H18N6OS MolecularWeight: 354.42942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N6OS/c1-11-5-7-14(8-6-11)20-16(24)12(2)25-17-22-21-15(23(17)18)13-4-3-9-19-10-13/h3-10,12H,18H2,1-2H3,(H,20,24)/t12-/m0/s1