N-(3-chlorophenyl)-6-hexyl-2-sulfanylidene-1H-pyrimidine-4-carboxamide

Systemtic Name: N-(3-chlorophenyl)-6-hexyl-2-sulfanylidene-1H-pyrimidine-4-carboxamide Openeye Name: N-(3-chlorophenyl)-6-hexyl-2-thioxo-1H-pyrimidine-4-carboxamide CAS Name: N-(3-chlorophenyl)-6-hexyl-2-sulfanylidene-1H-pyrimidine-4-carboxamide IUPAC Name: N-(3-chlorophenyl)-6-hexyl-2-sulfanylidene-1H-pyrimidine-4-carboxamide Traditional Name: N-(3-chlorophenyl)-6-hexyl-2-thioxo-1H-pyrimidine-4-carboxamide Formula: C17H20ClN3OS MolecularWeight: 349.8782

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC(=NC(=S)N1)C(=O)NC2=CC(=CC=C2)Cl

Isomeric SMILES

CCCCCCC1=CC(=NC(=S)N1)C(=O)NC2=CC(=CC=C2)Cl

InChI

InChI=1S/C17H20ClN3OS/c1-2-3-4-5-8-14-11-15(21-17(23)20-14)16(22)19-13-9-6-7-12(18)10-13/h6-7,9-11H,2-5,8H2,1H3,(H,19,22)(H,20,21,23)