(2R)-2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-(4-methylphenyl)propanenitrile

Systemtic Name: (2R)-2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-(4-methylphenyl)propanenitrile Openeye Name: (2R)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-3-(p-tolyl)propanenitrile CAS Name: (2R)-2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-3-(4-methylphenyl)propanenitrile IUPAC Name: (2R)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-3-(4-methylphenyl)propanenitrile Traditional Name: (2R)-2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-3-(p-tolyl)propionitrile Formula: C12H13N5S MolecularWeight: 259.33012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC(C#N)SC2=NNC(=N2)N

Isomeric SMILES

CC1=CC=C(C=C1)C[C@H](C#N)SC2=NNC(=N2)N

InChI

InChI=1S/C12H13N5S/c1-8-2-4-9(5-3-8)6-10(7-13)18-12-15-11(14)16-17-12/h2-5,10H,6H2,1H3,(H3,14,15,16,17)/t10-/m1/s1