2-(naphthalen-1-ylmethylsulfanyl)-3-(1H-1,2,4-triazol-5-yl)quinazolin-4-one

Systemtic Name: 2-(naphthalen-1-ylmethylsulfanyl)-3-(1H-1,2,4-triazol-5-yl)quinazolin-4-one Openeye Name: 2-(1-naphthylmethylsulfanyl)-3-(1H-1,2,4-triazol-5-yl)quinazolin-4-one CAS Name: 2-(1-naphthalenylmethylthio)-3-(1H-1,2,4-triazol-5-yl)-4-quinazolinone IUPAC Name: 2-(naphthalen-1-ylmethylsulfanyl)-3-(1H-1,2,4-triazol-5-yl)quinazolin-4-one Traditional Name: 2-(1-naphthylmethylthio)-3-(1H-1,2,4-triazol-5-yl)quinazolin-4-one Formula: C21H15N5OS MolecularWeight: 385.4417

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2CSC3=NC4=CC=CC=C4C(=O)N3C5=NC=NN5

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2CSC3=NC4=CC=CC=C4C(=O)N3C5=NC=NN5

InChI

InChI=1S/C21H15N5OS/c27-19-17-10-3-4-11-18(17)24-21(26(19)20-22-13-23-25-20)28-12-15-8-5-7-14-6-1-2-9-16(14)15/h1-11,13H,12H2,(H,22,23,25)