5-chloranyl-N-(3-nitrophenyl)-2-(phenylmethylsulfanyl)pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-(3-nitrophenyl)-2-(phenylmethylsulfanyl)pyrimidine-4-carboxamide Openeye Name: 2-benzylsulfanyl-5-chloro-N-(3-nitrophenyl)pyrimidine-4-carboxamide CAS Name: 5-chloro-N-(3-nitrophenyl)-2-(phenylmethylthio)-4-pyrimidinecarboxamide IUPAC Name: 2-benzylsulfanyl-5-chloro-N-(3-nitrophenyl)pyrimidine-4-carboxamide Traditional Name: 2-(benzylthio)-5-chloro-N-(3-nitrophenyl)pyrimidine-4-carboxamide Formula: C18H13ClN4O3S MolecularWeight: 400.83882

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC=C(C(=N2)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC=C(C(=N2)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H13ClN4O3S/c19-15-10-20-18(27-11-12-5-2-1-3-6-12)22-16(15)17(24)21-13-7-4-8-14(9-13)23(25)26/h1-10H,11H2,(H,21,24)