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

Systemtic Name: 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone Openeye Name: 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone CAS Name: 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]-1-(1,2,5-trimethyl-3-pyrrolyl)ethanone IUPAC Name: 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone Traditional Name: 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone Formula: C17H18N4OS MolecularWeight: 326.41602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C)C)C(=O)CSC2=NNC(=N2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(N1C)C)C(=O)CSC2=NNC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C17H18N4OS/c1-11-9-14(12(2)21(11)3)15(22)10-23-17-18-16(19-20-17)13-7-5-4-6-8-13/h4-9H,10H2,1-3H3,(H,18,19,20)