1-(2,3-dimethylindol-1-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-(2,3-dimethylindol-1-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(2,3-dimethylindol-1-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(2,3-dimethyl-1-indolyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(2,3-dimethylindol-1-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(2,3-dimethylindol-1-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]ethanone Formula: C20H18N4OS MolecularWeight: 362.44812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=CC=CC=C12)C(=O)CSC3=NNC(=N3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(N(C2=CC=CC=C12)C(=O)CSC3=NNC(=N3)C4=CC=CC=C4)C

InChI

InChI=1S/C20H18N4OS/c1-13-14(2)24(17-11-7-6-10-16(13)17)18(25)12-26-20-21-19(22-23-20)15-8-4-3-5-9-15/h3-11H,12H2,1-2H3,(H,21,22,23)