(2R)-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]pentanedinitrile

Systemtic Name: (2R)-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]pentanedinitrile Openeye Name: (2R)-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]pentanedinitrile CAS Name: (2R)-2-[[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]methyl]pentanedinitrile IUPAC Name: (2R)-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]pentanedinitrile Traditional Name: (2R)-2-[[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]methyl]glutaronitrile Formula: C17H17N5S MolecularWeight: 323.41538

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2C3=CC=CC=C3)SCC(CCC#N)C#N

Isomeric SMILES

C1CC1C2=NN=C(N2C3=CC=CC=C3)SC[C@H](CCC#N)C#N

InChI

InChI=1S/C17H17N5S/c18-10-4-5-13(11-19)12-23-17-21-20-16(14-8-9-14)22(17)15-6-2-1-3-7-15/h1-3,6-7,13-14H,4-5,8-9,12H2/t13-/m1/s1