7-chloranyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one

Systemtic Name: 7-chloranyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one Openeye Name: 7-chloro-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one CAS Name: 7-chloro-2-[[(4-phenyl-1,2,4-triazol-3-yl)thio]methyl]-4-pyrido[1,2-a]pyrimidinone IUPAC Name: 7-chloro-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one Traditional Name: 7-chloro-2-[[(4-phenyl-1,2,4-triazol-3-yl)thio]methyl]pyrido[1,2-a]pyrimidin-4-one Formula: C17H12ClN5OS MolecularWeight: 369.82808

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=NN=C2SCC3=CC(=O)N4C=C(C=CC4=N3)Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C=NN=C2SCC3=CC(=O)N4C=C(C=CC4=N3)Cl

InChI

InChI=1S/C17H12ClN5OS/c18-12-6-7-15-20-13(8-16(24)22(15)9-12)10-25-17-21-19-11-23(17)14-4-2-1-3-5-14/h1-9,11H,10H2