2-[(4-cyclopropyl-5-thiophen-2-yl-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-thiophen-2-yl-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-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-1-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)ethanone IUPAC Name: 2-[(4-cyclopropyl-5-thiophen-2-yl-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-(2-thienyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C20H22N4OS2 MolecularWeight: 398.54488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC=C)C)C(=O)CSC2=NN=C(N2C3CC3)C4=CC=CS4

Isomeric SMILES

CC1=CC(=C(N1CC=C)C)C(=O)CSC2=NN=C(N2C3CC3)C4=CC=CS4

InChI

InChI=1S/C20H22N4OS2/c1-4-9-23-13(2)11-16(14(23)3)17(25)12-27-20-22-21-19(18-6-5-10-26-18)24(20)15-7-8-15/h4-6,10-11,15H,1,7-9,12H2,2-3H3