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

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)ethanone Openeye Name: 1-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)ethanone IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)ethanone Traditional Name: 1-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]ethanone Formula: C13H17N5OS MolecularWeight: 291.37198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC=C)C)C(=O)CSC2=NNC(=N2)N

Isomeric SMILES

CC1=CC(=C(N1CC=C)C)C(=O)CSC2=NNC(=N2)N

InChI

InChI=1S/C13H17N5OS/c1-4-5-18-8(2)6-10(9(18)3)11(19)7-20-13-15-12(14)16-17-13/h4,6H,1,5,7H2,2-3H3,(H3,14,15,16,17)