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

Systemtic Name: 3-[[5-(2,3-dimethyl-1H-indol-5-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Openeye Name: 3-[[4-allyl-5-(2,3-dimethyl-1H-indol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile CAS Name: 3-[[5-(2,3-dimethyl-1H-indol-5-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]propanenitrile IUPAC Name: 3-[[5-(2,3-dimethyl-1H-indol-5-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Traditional Name: 3-[[4-allyl-5-(2,3-dimethyl-1H-indol-5-yl)-1,2,4-triazol-3-yl]thio]propionitrile Formula: C18H19N5S MolecularWeight: 337.44196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC2=C1C=C(C=C2)C3=NN=C(N3CC=C)SCCC#N)C

Isomeric SMILES

CC1=C(NC2=C1C=C(C=C2)C3=NN=C(N3CC=C)SCCC#N)C

InChI

InChI=1S/C18H19N5S/c1-4-9-23-17(21-22-18(23)24-10-5-8-19)14-6-7-16-15(11-14)12(2)13(3)20-16/h4,6-7,11,20H,1,5,9-10H2,2-3H3