(E)-1-(4-chloranyl-1-methyl-pyrazol-3-yl)-3-[3-methoxy-4-(phenylsulfanylmethyl)phenyl]prop-2-en-1-one

Systemtic Name: (E)-1-(4-chloranyl-1-methyl-pyrazol-3-yl)-3-[3-methoxy-4-(phenylsulfanylmethyl)phenyl]prop-2-en-1-one Openeye Name: (E)-1-(4-chloro-1-methyl-pyrazol-3-yl)-3-[3-methoxy-4-(phenylsulfanylmethyl)phenyl]prop-2-en-1-one CAS Name: (E)-1-(4-chloro-1-methyl-3-pyrazolyl)-3-[3-methoxy-4-[(phenylthio)methyl]phenyl]-2-propen-1-one IUPAC Name: (E)-1-(4-chloro-1-methylpyrazol-3-yl)-3-[3-methoxy-4-(phenylsulfanylmethyl)phenyl]prop-2-en-1-one Traditional Name: (E)-1-(4-chloro-1-methyl-pyrazol-3-yl)-3-[3-methoxy-4-[(phenylthio)methyl]phenyl]prop-2-en-1-one Formula: C21H19ClN2O2S MolecularWeight: 398.90576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)C=CC2=CC(=C(C=C2)CSC3=CC=CC=C3)OC)Cl

Isomeric SMILES

CN1C=C(C(=N1)C(=O)/C=C/C2=CC(=C(C=C2)CSC3=CC=CC=C3)OC)Cl

InChI

InChI=1S/C21H19ClN2O2S/c1-24-13-18(22)21(23-24)19(25)11-9-15-8-10-16(20(12-15)26-2)14-27-17-6-4-3-5-7-17/h3-13H,14H2,1-2H3/b11-9+