3-butyl-6-(3-methylphenyl)-2,4-bis(sulfanylidene)-1H-pyrimidine-5-carbonitrile

Systemtic Name: 3-butyl-6-(3-methylphenyl)-2,4-bis(sulfanylidene)-1H-pyrimidine-5-carbonitrile Openeye Name: 3-butyl-6-(m-tolyl)-2,4-dithioxo-1H-pyrimidine-5-carbonitrile CAS Name: 3-butyl-6-(3-methylphenyl)-2,4-bis(sulfanylidene)-1H-pyrimidine-5-carbonitrile IUPAC Name: 3-butyl-6-(3-methylphenyl)-2,4-bis(sulfanylidene)-1H-pyrimidine-5-carbonitrile Traditional Name: 3-butyl-6-(m-tolyl)-2,4-dithioxo-1H-pyrimidine-5-carbonitrile Formula: C16H17N3S2 MolecularWeight: 315.45628

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=S)C(=C(NC1=S)C2=CC(=CC=C2)C)C#N

Isomeric SMILES

CCCCN1C(=S)C(=C(NC1=S)C2=CC(=CC=C2)C)C#N

InChI

InChI=1S/C16H17N3S2/c1-3-4-8-19-15(20)13(10-17)14(18-16(19)21)12-7-5-6-11(2)9-12/h5-7,9H,3-4,8H2,1-2H3,(H,18,21)