(2R)-3-[[(5E)-4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-propanenitrile

Systemtic Name: (2R)-3-[[(5E)-4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-propanenitrile Openeye Name: (2R)-3-[[(5E)-4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-propanenitrile CAS Name: (2R)-3-[[(5E)-4-cyclopropyl-5-(3-indolylidene)-1H-1,2,4-triazol-3-yl]thio]-2-methylpropanenitrile IUPAC Name: (2R)-3-[[(5E)-4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]-2-methylpropanenitrile Traditional Name: (2R)-3-[[(5E)-4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]thio]-2-methyl-propionitrile Formula: C17H17N5S MolecularWeight: 323.41538

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC1=NNC(=C2C=NC3=CC=CC=C32)N1C4CC4)C#N

Isomeric SMILES

C[C@@H](CSC1=NN/C(=C\2/C=NC3=CC=CC=C32)/N1C4CC4)C#N

InChI

InChI=1S/C17H17N5S/c1-11(8-18)10-23-17-21-20-16(22(17)12-6-7-12)14-9-19-15-5-3-2-4-13(14)15/h2-5,9,11-12,20H,6-7,10H2,1H3/b16-14+/t11-/m1/s1