7-chloranyl-2-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one

Systemtic Name: 7-chloranyl-2-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 7-chloro-2-[[5-(2-thienylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 7-chloro-2-[[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 7-chloro-2-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 7-chloro-2-[[[5-(2-thenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one Formula: C16H12ClN5OS2 MolecularWeight: 389.88238

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CC2=NC(=NN2)SCC3=NC(=O)C4=C(N3)C=C(C=C4)Cl

Isomeric SMILES

C1=CSC(=C1)CC2=NC(=NN2)SCC3=NC(=O)C4=C(N3)C=C(C=C4)Cl

InChI

InChI=1S/C16H12ClN5OS2/c17-9-3-4-11-12(6-9)18-14(19-15(11)23)8-25-16-20-13(21-22-16)7-10-2-1-5-24-10/h1-6H,7-8H2,(H,18,19,23)(H,20,21,22)