2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-3-(1H-1,2,4-triazol-5-yl)quinazolin-4-one

Systemtic Name: 2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-3-(1H-1,2,4-triazol-5-yl)quinazolin-4-one Openeye Name: 2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-3-(1H-1,2,4-triazol-5-yl)quinazolin-4-one CAS Name: 2-[[4-(1-pyrazolyl)phenyl]methylthio]-3-(1H-1,2,4-triazol-5-yl)-4-quinazolinone IUPAC Name: 2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-3-(1H-1,2,4-triazol-5-yl)quinazolin-4-one Traditional Name: 2-[(4-pyrazol-1-ylbenzyl)thio]-3-(1H-1,2,4-triazol-5-yl)quinazolin-4-one Formula: C20H15N7OS MolecularWeight: 401.4444

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=CC=C(C=C3)N4C=CC=N4)C5=NC=NN5

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=CC=C(C=C3)N4C=CC=N4)C5=NC=NN5

InChI

InChI=1S/C20H15N7OS/c28-18-16-4-1-2-5-17(16)24-20(27(18)19-21-13-22-25-19)29-12-14-6-8-15(9-7-14)26-11-3-10-23-26/h1-11,13H,12H2,(H,21,22,25)