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

Systemtic Name: 1-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-[[4-(4-methoxyphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-[[4-(4-methoxyphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C25H25N5O2S MolecularWeight: 459.5633

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC=C)C)C(=O)CSC2=NN=C(N2C3=CC=C(C=C3)OC)C4=CC=NC=C4

Isomeric SMILES

CC1=CC(=C(N1CC=C)C)C(=O)CSC2=NN=C(N2C3=CC=C(C=C3)OC)C4=CC=NC=C4

InChI

InChI=1S/C25H25N5O2S/c1-5-14-29-17(2)15-22(18(29)3)23(31)16-33-25-28-27-24(19-10-12-26-13-11-19)30(25)20-6-8-21(32-4)9-7-20/h5-13,15H,1,14,16H2,2-4H3