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

Systemtic Name: 3-[[5-(2,3-dimethyl-1H-indol-5-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Openeye Name: 3-[[5-(2,3-dimethyl-1H-indol-5-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile CAS Name: 3-[[5-(2,3-dimethyl-1H-indol-5-yl)-4-ethyl-1,2,4-triazol-3-yl]thio]propanenitrile IUPAC Name: 3-[[5-(2,3-dimethyl-1H-indol-5-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Traditional Name: 3-[[5-(2,3-dimethyl-1H-indol-5-yl)-4-ethyl-1,2,4-triazol-3-yl]thio]propionitrile Formula: C17H19N5S MolecularWeight: 325.43126

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCCC#N)C2=CC3=C(C=C2)NC(=C3C)C

Isomeric SMILES

CCN1C(=NN=C1SCCC#N)C2=CC3=C(C=C2)NC(=C3C)C

InChI

InChI=1S/C17H19N5S/c1-4-22-16(20-21-17(22)23-9-5-8-18)13-6-7-15-14(10-13)11(2)12(3)19-15/h6-7,10,19H,4-5,9H2,1-3H3