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

Systemtic Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-3-(1H-1,2,4-triazol-5-yl)quinazolin-4-one Openeye Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-3-(1H-1,2,4-triazol-5-yl)quinazolin-4-one CAS Name: 2-(1,3-benzothiazol-2-ylmethylthio)-3-(1H-1,2,4-triazol-5-yl)-4-quinazolinone IUPAC Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-3-(1H-1,2,4-triazol-5-yl)quinazolin-4-one Traditional Name: 2-(1,3-benzothiazol-2-ylmethylthio)-3-(1H-1,2,4-triazol-5-yl)quinazolin-4-one Formula: C18H12N6OS2 MolecularWeight: 392.45748

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=NC4=CC=CC=C4S3)C5=NC=NN5

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=NC4=CC=CC=C4S3)C5=NC=NN5

InChI

InChI=1S/C18H12N6OS2/c25-16-11-5-1-2-6-12(11)22-18(24(16)17-19-10-20-23-17)26-9-15-21-13-7-3-4-8-14(13)27-15/h1-8,10H,9H2,(H,19,20,23)