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

Systemtic Name: 6-chloranyl-2-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 6-chloro-2-[[4-methyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 6-chloro-2-[[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 6-chloro-2-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 6-chloro-2-[[[4-methyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one Formula: C17H14ClN5OS2 MolecularWeight: 403.90896

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=NC(=O)C3=C(N2)C=CC(=C3)Cl)CC4=CC=CS4

Isomeric SMILES

CN1C(=NN=C1SCC2=NC(=O)C3=C(N2)C=CC(=C3)Cl)CC4=CC=CS4

InChI

InChI=1S/C17H14ClN5OS2/c1-23-15(8-11-3-2-6-25-11)21-22-17(23)26-9-14-19-13-5-4-10(18)7-12(13)16(24)20-14/h2-7H,8-9H2,1H3,(H,19,20,24)