(2S)-2-[(4-azanyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-5-methyl-phenyl)propanamide

Systemtic Name: (2S)-2-[(4-azanyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-5-methyl-phenyl)propanamide Openeye Name: (2S)-2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-5-methyl-phenyl)propanamide CAS Name: (2S)-2-[(4-amino-1,2,4-triazol-3-yl)thio]-N-(2-methoxy-5-methylphenyl)propanamide IUPAC Name: (2S)-2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-5-methylphenyl)propanamide Traditional Name: (2S)-2-[(4-amino-1,2,4-triazol-3-yl)thio]-N-(2-methoxy-5-methyl-phenyl)propionamide Formula: C13H17N5O2S MolecularWeight: 307.37138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)C(C)SC2=NN=CN2N

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)[C@H](C)SC2=NN=CN2N

InChI

InChI=1S/C13H17N5O2S/c1-8-4-5-11(20-3)10(6-8)16-12(19)9(2)21-13-17-15-7-18(13)14/h4-7,9H,14H2,1-3H3,(H,16,19)/t9-/m0/s1