3-[[5-(2,3-dimethyl-1H-indol-5-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile

Systemtic Name: 3-[[5-(2,3-dimethyl-1H-indol-5-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Openeye Name: 3-[[5-(2,3-dimethyl-1H-indol-5-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile CAS Name: 3-[[5-(2,3-dimethyl-1H-indol-5-yl)-4-methyl-1,2,4-triazol-3-yl]thio]propanenitrile IUPAC Name: 3-[[5-(2,3-dimethyl-1H-indol-5-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Traditional Name: 3-[[5-(2,3-dimethyl-1H-indol-5-yl)-4-methyl-1,2,4-triazol-3-yl]thio]propionitrile Formula: C16H17N5S MolecularWeight: 311.40468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC2=C1C=C(C=C2)C3=NN=C(N3C)SCCC#N)C

Isomeric SMILES

CC1=C(NC2=C1C=C(C=C2)C3=NN=C(N3C)SCCC#N)C

InChI

InChI=1S/C16H17N5S/c1-10-11(2)18-14-6-5-12(9-13(10)14)15-19-20-16(21(15)3)22-8-4-7-17/h5-6,9,18H,4,8H2,1-3H3