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

Systemtic Name: 2-[(4-cyclopropyl-5-methyl-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-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)thio]-1-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)ethanone IUPAC Name: 2-[(4-cyclopropyl-5-methyl-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-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)thio]ethanone Formula: C17H22N4OS MolecularWeight: 330.44778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC=C)C)C(=O)CSC2=NN=C(N2C3CC3)C

Isomeric SMILES

CC1=CC(=C(N1CC=C)C)C(=O)CSC2=NN=C(N2C3CC3)C

InChI

InChI=1S/C17H22N4OS/c1-5-8-20-11(2)9-15(12(20)3)16(22)10-23-17-19-18-13(4)21(17)14-6-7-14/h5,9,14H,1,6-8,10H2,2-4H3