1-(3-chloranyl-4-methoxy-phenyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-(3-chloranyl-4-methoxy-phenyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(3-chloro-4-methoxy-phenyl)ethanone CAS Name: 1-(3-chloro-4-methoxyphenyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(3-chloro-4-methoxyphenyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-1-(3-chloro-4-methoxy-phenyl)ethanone Formula: C19H17ClN4O2S MolecularWeight: 400.88188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CSC2=NN=C(N2CC=C)C3=CC=NC=C3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CSC2=NN=C(N2CC=C)C3=CC=NC=C3)Cl

InChI

InChI=1S/C19H17ClN4O2S/c1-3-10-24-18(13-6-8-21-9-7-13)22-23-19(24)27-12-16(25)14-4-5-17(26-2)15(20)11-14/h3-9,11H,1,10,12H2,2H3