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

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)propan-1-one Openeye Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)propan-1-one CAS Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-1-propanone IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)propan-1-one Traditional Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)propan-1-one Formula: C17H19N5OS MolecularWeight: 341.43066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)C(C)SC3=NNC(=N3)N

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)C(C)SC3=NNC(=N3)N

InChI

InChI=1S/C17H19N5OS/c1-10-9-14(11(2)22(10)13-7-5-4-6-8-13)15(23)12(3)24-17-19-16(18)20-21-17/h4-9,12H,1-3H3,(H3,18,19,20,21)