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

Systemtic Name: 1-(1,2-dimethylindol-3-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(1,2-dimethylindol-3-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(1,2-dimethyl-3-indolyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(1,2-dimethylindol-3-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(1,2-dimethylindol-3-yl)-2-[(1-phenyl-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(C2=CC=CC=C2N1C)C(=O)CSC3=NN(C=N3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1C)C(=O)CSC3=NN(C=N3)C4=CC=CC=C4

InChI

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