(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-2-(2-methylsulfanylethylsulfanyl)-3-(phenylmethyl)imidazol-4-one

Systemtic Name: (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-2-(2-methylsulfanylethylsulfanyl)-3-(phenylmethyl)imidazol-4-one Openeye Name: (5Z)-5-(1,3-benzodioxol-5-ylmethylene)-3-benzyl-2-(2-methylsulfanylethylsulfanyl)imidazol-4-one CAS Name: (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-2-[2-(methylthio)ethylthio]-3-(phenylmethyl)-4-imidazolone IUPAC Name: (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-benzyl-2-(2-methylsulfanylethylsulfanyl)imidazol-4-one Traditional Name: (5Z)-3-benzyl-2-[2-(methylthio)ethylthio]-5-piperonylidene-2-imidazolin-4-one Formula: C21H20N2O3S2 MolecularWeight: 412.5251

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Descriptors Computed from Structure

Canonical SMILES:

CSCCSC1=NC(=CC2=CC3=C(C=C2)OCO3)C(=O)N1CC4=CC=CC=C4

Isomeric SMILES

CSCCSC1=N/C(=C\C2=CC3=C(C=C2)OCO3)/C(=O)N1CC4=CC=CC=C4

InChI

InChI=1S/C21H20N2O3S2/c1-27-9-10-28-21-22-17(11-16-7-8-18-19(12-16)26-14-25-18)20(24)23(21)13-15-5-3-2-4-6-15/h2-8,11-12H,9-10,13-14H2,1H3/b17-11-