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

Systemtic Name: (E)-1-(4-octyl-1,5-dihydro-1,2,4-triazol-3-yl)-3-(3-phenylsulfanyl-1H-pyrrol-2-yl)prop-2-en-1-one Openeye Name: (E)-1-(4-octyl-1,5-dihydro-1,2,4-triazol-3-yl)-3-(3-phenylsulfanyl-1H-pyrrol-2-yl)prop-2-en-1-one CAS Name: (E)-1-(4-octyl-1,5-dihydro-1,2,4-triazol-3-yl)-3-[3-(phenylthio)-1H-pyrrol-2-yl]-2-propen-1-one IUPAC Name: (E)-1-(4-octyl-1,5-dihydro-1,2,4-triazol-3-yl)-3-(3-phenylsulfanyl-1H-pyrrol-2-yl)prop-2-en-1-one Traditional Name: (E)-1-(4-octyl-1,5-dihydro-1,2,4-triazol-3-yl)-3-[3-(phenylthio)-1H-pyrrol-2-yl]prop-2-en-1-one Formula: C23H30N4OS MolecularWeight: 410.5755

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1CNN=C1C(=O)C=CC2=C(C=CN2)SC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCN1CNN=C1C(=O)/C=C/C2=C(C=CN2)SC3=CC=CC=C3

InChI

InChI=1S/C23H30N4OS/c1-2-3-4-5-6-10-17-27-18-25-26-23(27)21(28)14-13-20-22(15-16-24-20)29-19-11-8-7-9-12-19/h7-9,11-16,24-25H,2-6,10,17-18H2,1H3/b14-13+