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

Systemtic Name: 2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)ethanone Openeye Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]ethanone Formula: C18H22N4O2S MolecularWeight: 358.45788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)CSC2=NN=C(N2CC=C)C3CC3

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)CSC2=NN=C(N2CC=C)C3CC3

InChI

InChI=1S/C18H22N4O2S/c1-5-8-22-17(13-6-7-13)20-21-18(22)25-9-14(24)16-10(2)15(12(4)23)11(3)19-16/h5,13,19H,1,6-9H2,2-4H3