(2R)-2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-dimethylaminophenyl)propanamide

Systemtic Name: (2R)-2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-dimethylaminophenyl)propanamide Openeye Name: (2R)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-dimethylaminophenyl)propanamide CAS Name: (2R)-2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-(4-dimethylaminophenyl)propanamide IUPAC Name: (2R)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-dimethylaminophenyl)propanamide Traditional Name: (2R)-2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-(4-dimethylaminophenyl)propionamide Formula: C13H18N6OS MolecularWeight: 306.38662

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)N(C)C)SC2=NNC(=N2)N

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)N(C)C)SC2=NNC(=N2)N

InChI

InChI=1S/C13H18N6OS/c1-8(21-13-16-12(14)17-18-13)11(20)15-9-4-6-10(7-5-9)19(2)3/h4-8H,1-3H3,(H,15,20)(H3,14,16,17,18)/t8-/m1/s1