4-(3-carbamothioylphenyl)pyrimidine-2-carbothioamide

Systemtic Name: 4-(3-carbamothioylphenyl)pyrimidine-2-carbothioamide Openeye Name: 4-(3-carbamothioylphenyl)pyrimidine-2-carbothioamide CAS Name: 4-(3-carbamothioylphenyl)-2-pyrimidinecarbothioamide IUPAC Name: 4-(3-carbamothioylphenyl)pyrimidine-2-carbothioamide Traditional Name: 4-(3-thiocarbamoylphenyl)pyrimidine-2-carbothioamide Formula: C12H10N4S2 MolecularWeight: 274.3646

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=S)N)C2=NC(=NC=C2)C(=S)N

Isomeric SMILES

C1=CC(=CC(=C1)C(=S)N)C2=NC(=NC=C2)C(=S)N

InChI

InChI=1S/C12H10N4S2/c13-10(17)8-3-1-2-7(6-8)9-4-5-15-12(16-9)11(14)18/h1-6H,(H2,13,17)(H2,14,18)