(2S)-1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propan-1-one

Systemtic Name: (2S)-1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propan-1-one Openeye Name: (2S)-1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propan-1-one CAS Name: (2S)-1-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-2-(1H-1,2,4-triazol-5-ylthio)-1-propanone IUPAC Name: (2S)-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propan-1-one Traditional Name: (2S)-1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-(1H-1,2,4-triazol-5-ylthio)propan-1-one Formula: C17H18N4OS MolecularWeight: 326.41602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)C(C)SC3=NC=NN3

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)[C@H](C)SC3=NC=NN3

InChI

InChI=1S/C17H18N4OS/c1-11-9-15(12(2)21(11)14-7-5-4-6-8-14)16(22)13(3)23-17-18-10-19-20-17/h4-10,13H,1-3H3,(H,18,19,20)/t13-/m0/s1