2-[[4-azanyl-5-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[4-azanyl-5-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-amino-5-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[[4-amino-5-(3-chlorophenyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[4-amino-5-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[[4-amino-5-(3-chlorophenyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one Formula: C17H13ClN6OS MolecularWeight: 384.84272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N=C(N2)CSC3=NN=C(N3N)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N=C(N2)CSC3=NN=C(N3N)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C17H13ClN6OS/c18-11-5-3-4-10(8-11)15-22-23-17(24(15)19)26-9-14-20-13-7-2-1-6-12(13)16(25)21-14/h1-8H,9,19H2,(H,20,21,25)