2-[(5-chloranyl-2-methoxy-phenyl)methylsulfanyl]-3-(1H-1,2,4-triazol-5-yl)quinazolin-4-one

Systemtic Name: 2-[(5-chloranyl-2-methoxy-phenyl)methylsulfanyl]-3-(1H-1,2,4-triazol-5-yl)quinazolin-4-one Openeye Name: 2-[(5-chloro-2-methoxy-phenyl)methylsulfanyl]-3-(1H-1,2,4-triazol-5-yl)quinazolin-4-one CAS Name: 2-[(5-chloro-2-methoxyphenyl)methylthio]-3-(1H-1,2,4-triazol-5-yl)-4-quinazolinone IUPAC Name: 2-[(5-chloro-2-methoxyphenyl)methylsulfanyl]-3-(1H-1,2,4-triazol-5-yl)quinazolin-4-one Traditional Name: 2-[(5-chloro-2-methoxy-benzyl)thio]-3-(1H-1,2,4-triazol-5-yl)quinazolin-4-one Formula: C18H14ClN5O2S MolecularWeight: 399.85406

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)CSC2=NC3=CC=CC=C3C(=O)N2C4=NC=NN4

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)CSC2=NC3=CC=CC=C3C(=O)N2C4=NC=NN4

InChI

InChI=1S/C18H14ClN5O2S/c1-26-15-7-6-12(19)8-11(15)9-27-18-22-14-5-3-2-4-13(14)16(25)24(18)17-20-10-21-23-17/h2-8,10H,9H2,1H3,(H,20,21,23)