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

Systemtic Name: 1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]ethanone Formula: C23H22N4OS MolecularWeight: 402.51198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)CSC3=NN=C(N3C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)CSC3=NN=C(N3C)C4=CC=CC=C4

InChI

InChI=1S/C23H22N4OS/c1-16-14-20(17(2)27(16)19-12-8-5-9-13-19)21(28)15-29-23-25-24-22(26(23)3)18-10-6-4-7-11-18/h4-14H,15H2,1-3H3