(Z)-3-pentylsulfanyl-1-phenyl-3-phenylazanyl-2-(1,2,4-triazol-1-yl)prop-2-en-1-one

Systemtic Name: (Z)-3-pentylsulfanyl-1-phenyl-3-phenylazanyl-2-(1,2,4-triazol-1-yl)prop-2-en-1-one Openeye Name: (Z)-3-anilino-3-pentylsulfanyl-1-phenyl-2-(1,2,4-triazol-1-yl)prop-2-en-1-one CAS Name: (Z)-3-anilino-3-(pentylthio)-1-phenyl-2-(1,2,4-triazol-1-yl)-2-propen-1-one IUPAC Name: (Z)-3-anilino-3-pentylsulfanyl-1-phenyl-2-(1,2,4-triazol-1-yl)prop-2-en-1-one Traditional Name: (Z)-3-(amylthio)-3-anilino-1-phenyl-2-(1,2,4-triazol-1-yl)prop-2-en-1-one Formula: C22H24N4OS MolecularWeight: 392.51716

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC(=C(C(=O)C1=CC=CC=C1)N2C=NC=N2)NC3=CC=CC=C3

Isomeric SMILES

CCCCCS/C(=C(/C(=O)C1=CC=CC=C1)\N2C=NC=N2)/NC3=CC=CC=C3

InChI

InChI=1S/C22H24N4OS/c1-2-3-10-15-28-22(25-19-13-8-5-9-14-19)20(26-17-23-16-24-26)21(27)18-11-6-4-7-12-18/h4-9,11-14,16-17,25H,2-3,10,15H2,1H3/b22-20-