2-[[4-ethyl-5-(1-ethylindol-3-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 2-[[4-ethyl-5-(1-ethylindol-3-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[[4-ethyl-5-(1-ethylindol-3-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 2-[[[4-ethyl-5-(1-ethyl-3-indolyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 2-[[4-ethyl-5-(1-ethylindol-3-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 2-[[[4-ethyl-5-(1-ethylindol-3-yl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C22H21N5S MolecularWeight: 387.50064

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C2=CC=CC=C21)C3=NN=C(N3CC)SCC4=CC=CC=C4C#N

Isomeric SMILES

CCN1C=C(C2=CC=CC=C21)C3=NN=C(N3CC)SCC4=CC=CC=C4C#N

InChI

InChI=1S/C22H21N5S/c1-3-26-14-19(18-11-7-8-12-20(18)26)21-24-25-22(27(21)4-2)28-15-17-10-6-5-9-16(17)13-23/h5-12,14H,3-4,15H2,1-2H3