1-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanone

Systemtic Name: 1-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanone Openeye Name: 1-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-(1-phenyltetrazol-5-yl)sulfanyl-ethanone CAS Name: 1-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-[(1-phenyl-5-tetrazolyl)thio]ethanone IUPAC Name: 1-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone Traditional Name: 1-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-[(1-phenyltetrazol-5-yl)thio]ethanone Formula: C18H19N5OS MolecularWeight: 353.44136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC=C)C)C(=O)CSC2=NN=NN2C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(N1CC=C)C)C(=O)CSC2=NN=NN2C3=CC=CC=C3

InChI

InChI=1S/C18H19N5OS/c1-4-10-22-13(2)11-16(14(22)3)17(24)12-25-18-19-20-21-23(18)15-8-6-5-7-9-15/h4-9,11H,1,10,12H2,2-3H3