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

Systemtic Name: 3-[[5-(2,3-dimethyl-1H-indol-5-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Openeye Name: 3-[[5-(2,3-dimethyl-1H-indol-5-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile CAS Name: 3-[[5-(2,3-dimethyl-1H-indol-5-yl)-4-phenyl-1,2,4-triazol-3-yl]thio]propanenitrile IUPAC Name: 3-[[5-(2,3-dimethyl-1H-indol-5-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Traditional Name: 3-[[5-(2,3-dimethyl-1H-indol-5-yl)-4-phenyl-1,2,4-triazol-3-yl]thio]propionitrile Formula: C21H19N5S MolecularWeight: 373.47406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC2=C1C=C(C=C2)C3=NN=C(N3C4=CC=CC=C4)SCCC#N)C

Isomeric SMILES

CC1=C(NC2=C1C=C(C=C2)C3=NN=C(N3C4=CC=CC=C4)SCCC#N)C

InChI

InChI=1S/C21H19N5S/c1-14-15(2)23-19-10-9-16(13-18(14)19)20-24-25-21(27-12-6-11-22)26(20)17-7-4-3-5-8-17/h3-5,7-10,13,23H,6,12H2,1-2H3