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

Systemtic Name: (2R)-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-phenyl-propanenitrile Openeye Name: (2R)-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-phenyl-propanenitrile CAS Name: (2R)-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]-3-phenylpropanenitrile IUPAC Name: (2R)-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-phenylpropanenitrile Traditional Name: (2R)-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]-3-phenyl-propionitrile Formula: C20H18N4S MolecularWeight: 346.44872

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2C3=CC=CC=C3)SC(CC4=CC=CC=C4)C#N

Isomeric SMILES

C1CC1C2=NN=C(N2C3=CC=CC=C3)S[C@H](CC4=CC=CC=C4)C#N

InChI

InChI=1S/C20H18N4S/c21-14-18(13-15-7-3-1-4-8-15)25-20-23-22-19(16-11-12-16)24(20)17-9-5-2-6-10-17/h1-10,16,18H,11-13H2/t18-/m1/s1