2-methylsulfanyl-4-phenyl-5-(2-sulfanylidene-1H-pyrimidin-6-yl)thiophene-3-carbonitrile

Systemtic Name: 2-methylsulfanyl-4-phenyl-5-(2-sulfanylidene-1H-pyrimidin-6-yl)thiophene-3-carbonitrile Openeye Name: 2-methylsulfanyl-4-phenyl-5-(2-thioxo-1H-pyrimidin-6-yl)thiophene-3-carbonitrile CAS Name: 2-(methylthio)-4-phenyl-5-(2-sulfanylidene-1H-pyrimidin-6-yl)-3-thiophenecarbonitrile IUPAC Name: 2-methylsulfanyl-4-phenyl-5-(2-sulfanylidene-1H-pyrimidin-6-yl)thiophene-3-carbonitrile Traditional Name: 2-(methylthio)-4-phenyl-5-(2-thioxo-1H-pyrimidin-6-yl)thiophene-3-carbonitrile Formula: C16H11N3S3 MolecularWeight: 341.47364

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=C(S1)C2=CC=NC(=S)N2)C3=CC=CC=C3)C#N

Isomeric SMILES

CSC1=C(C(=C(S1)C2=CC=NC(=S)N2)C3=CC=CC=C3)C#N

InChI

InChI=1S/C16H11N3S3/c1-21-15-11(9-17)13(10-5-3-2-4-6-10)14(22-15)12-7-8-18-16(20)19-12/h2-8H,1H3,(H,18,19,20)