1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]ethanone

Systemtic Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]ethanone Openeye Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]ethanone CAS Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-3-pyrrolyl]-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]ethanone IUPAC Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]ethanone Traditional Name: 1-(2,5-dimethyl-1-piperonyl-pyrrol-3-yl)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]ethanone Formula: C31H26N4O3S MolecularWeight: 534.62814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC3=C(C=C2)OCO3)C)C(=O)CSC4=NC(=C(N=N4)C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CC1=CC(=C(N1CC2=CC3=C(C=C2)OCO3)C)C(=O)CSC4=NC(=C(N=N4)C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C31H26N4O3S/c1-20-15-25(21(2)35(20)17-22-13-14-27-28(16-22)38-19-37-27)26(36)18-39-31-32-29(23-9-5-3-6-10-23)30(33-34-31)24-11-7-4-8-12-24/h3-16H,17-19H2,1-2H3