6-(4-chlorophenyl)-2-(phenylmethylsulfanyl)-4-sulfanylidene-1H-pyrimidine-5-carbonitrile

Systemtic Name: 6-(4-chlorophenyl)-2-(phenylmethylsulfanyl)-4-sulfanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 2-benzylsulfanyl-6-(4-chlorophenyl)-4-thioxo-1H-pyrimidine-5-carbonitrile CAS Name: 6-(4-chlorophenyl)-2-(phenylmethylthio)-4-sulfanylidene-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-benzylsulfanyl-6-(4-chlorophenyl)-4-sulfanylidene-1H-pyrimidine-5-carbonitrile Traditional Name: 2-(benzylthio)-6-(4-chlorophenyl)-4-thioxo-1H-pyrimidine-5-carbonitrile Formula: C18H12ClN3S2 MolecularWeight: 369.89098

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC(=S)C(=C(N2)C3=CC=C(C=C3)Cl)C#N

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC(=S)C(=C(N2)C3=CC=C(C=C3)Cl)C#N

InChI

InChI=1S/C18H12ClN3S2/c19-14-8-6-13(7-9-14)16-15(10-20)17(23)22-18(21-16)24-11-12-4-2-1-3-5-12/h1-9H,11H2,(H,21,22,23)