1-(4-chlorophenyl)-2-[3-(phenylsulfanylmethyl)-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl]ethanone

Systemtic Name: 1-(4-chlorophenyl)-2-[3-(phenylsulfanylmethyl)-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl]ethanone Openeye Name: 2-[4-allyl-3-(phenylsulfanylmethyl)-5-thioxo-1,2,4-triazol-1-yl]-1-(4-chlorophenyl)ethanone CAS Name: 1-(4-chlorophenyl)-2-[3-[(phenylthio)methyl]-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl]ethanone IUPAC Name: 1-(4-chlorophenyl)-2-[3-(phenylsulfanylmethyl)-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl]ethanone Traditional Name: 2-[4-allyl-3-[(phenylthio)methyl]-5-thioxo-1,2,4-triazol-1-yl]-1-(4-chlorophenyl)ethanone Formula: C20H18ClN3OS2 MolecularWeight: 415.95942

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN(C1=S)CC(=O)C2=CC=C(C=C2)Cl)CSC3=CC=CC=C3

Isomeric SMILES

C=CCN1C(=NN(C1=S)CC(=O)C2=CC=C(C=C2)Cl)CSC3=CC=CC=C3

InChI

InChI=1S/C20H18ClN3OS2/c1-2-12-23-19(14-27-17-6-4-3-5-7-17)22-24(20(23)26)13-18(25)15-8-10-16(21)11-9-15/h2-11H,1,12-14H2