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

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)ethanone Openeye Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)ethanone CAS Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-(2,5-dimethyl-1-phenyl-3-pyrrolyl)ethanone IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone Traditional Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)ethanone Formula: C16H17N5OS MolecularWeight: 327.40408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)CSC3=NNC(=N3)N

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)CSC3=NNC(=N3)N

InChI

InChI=1S/C16H17N5OS/c1-10-8-13(11(2)21(10)12-6-4-3-5-7-12)14(22)9-23-16-18-15(17)19-20-16/h3-8H,9H2,1-2H3,(H3,17,18,19,20)