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

Systemtic Name: (E)-1-(5-octyl-1H-1,2,4-triazol-3-yl)-3-(2-phenylsulfanyl-1H-pyrrol-3-yl)prop-2-en-1-one Openeye Name: (E)-1-(5-octyl-1H-1,2,4-triazol-3-yl)-3-(2-phenylsulfanyl-1H-pyrrol-3-yl)prop-2-en-1-one CAS Name: (E)-1-(5-octyl-1H-1,2,4-triazol-3-yl)-3-[2-(phenylthio)-1H-pyrrol-3-yl]-2-propen-1-one IUPAC Name: (E)-1-(5-octyl-1H-1,2,4-triazol-3-yl)-3-(2-phenylsulfanyl-1H-pyrrol-3-yl)prop-2-en-1-one Traditional Name: (E)-1-(5-octyl-1H-1,2,4-triazol-3-yl)-3-[2-(phenylthio)-1H-pyrrol-3-yl]prop-2-en-1-one Formula: C23H28N4OS MolecularWeight: 408.55962

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=NC(=NN1)C(=O)C=CC2=C(NC=C2)SC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCC1=NC(=NN1)C(=O)/C=C/C2=C(NC=C2)SC3=CC=CC=C3

InChI

InChI=1S/C23H28N4OS/c1-2-3-4-5-6-10-13-21-25-22(27-26-21)20(28)15-14-18-16-17-24-23(18)29-19-11-8-7-9-12-19/h7-9,11-12,14-17,24H,2-6,10,13H2,1H3,(H,25,26,27)/b15-14+