(E)-1-(4-phenethyl-1,5-dihydro-1,2,4-triazol-3-yl)-3-(2-phenylsulfanyl-1H-pyrrol-3-yl)prop-2-en-1-one

Systemtic Name: (E)-1-(4-phenethyl-1,5-dihydro-1,2,4-triazol-3-yl)-3-(2-phenylsulfanyl-1H-pyrrol-3-yl)prop-2-en-1-one Openeye Name: (E)-1-(4-phenethyl-1,5-dihydro-1,2,4-triazol-3-yl)-3-(2-phenylsulfanyl-1H-pyrrol-3-yl)prop-2-en-1-one CAS Name: (E)-1-(4-phenethyl-1,5-dihydro-1,2,4-triazol-3-yl)-3-[2-(phenylthio)-1H-pyrrol-3-yl]-2-propen-1-one IUPAC Name: (E)-1-(4-phenethyl-1,5-dihydro-1,2,4-triazol-3-yl)-3-(2-phenylsulfanyl-1H-pyrrol-3-yl)prop-2-en-1-one Traditional Name: (E)-1-(4-phenethyl-1,5-dihydro-1,2,4-triazol-3-yl)-3-[2-(phenylthio)-1H-pyrrol-3-yl]prop-2-en-1-one Formula: C23H22N4OS MolecularWeight: 402.51198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1NN=C(N1CCC2=CC=CC=C2)C(=O)C=CC3=C(NC=C3)SC4=CC=CC=C4

Isomeric SMILES

C1NN=C(N1CCC2=CC=CC=C2)C(=O)/C=C/C3=C(NC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C23H22N4OS/c28-21(22-26-25-17-27(22)16-14-18-7-3-1-4-8-18)12-11-19-13-15-24-23(19)29-20-9-5-2-6-10-20/h1-13,15,24-25H,14,16-17H2/b12-11+