2-[(4-chlorophenyl)amino]pyrimidine-4-carbothioamide

Systemtic Name: 2-[(4-chlorophenyl)amino]pyrimidine-4-carbothioamide Openeye Name: 2-(4-chloroanilino)pyrimidine-4-carbothioamide CAS Name: 2-(4-chloroanilino)-4-pyrimidinecarbothioamide IUPAC Name: 2-(4-chloroanilino)pyrimidine-4-carbothioamide Traditional Name: 2-(4-chloroanilino)pyrimidine-4-carbothioamide Formula: C11H9ClN4S MolecularWeight: 264.73396

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=NC=CC(=N2)C(=S)N)Cl

Isomeric SMILES

C1=CC(=CC=C1NC2=NC=CC(=N2)C(=S)N)Cl

InChI

InChI=1S/C11H9ClN4S/c12-7-1-3-8(4-2-7)15-11-14-6-5-9(16-11)10(13)17/h1-6H,(H2,13,17)(H,14,15,16)