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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C)SC(C2=CC=CC=C2)C(=O)C3=CNC4=CC=CC=C43

Isomeric SMILES

CC1=NN=C(N1C)SC(C2=CC=CC=C2)C(=O)C3=CNC4=CC=CC=C43

InChI

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