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

Systemtic Name: 6-chloranyl-2-[[4-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 6-chloro-2-[[4-[2-(2-thienyl)ethyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 6-chloro-2-[[[4-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 6-chloro-2-[[4-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 6-chloro-2-[[[4-[2-(2-thienyl)ethyl]-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:

C1=CSC(=C1)CCN2C=NN=C2SCC3=NC(=O)C4=C(N3)C=CC(=C4)Cl

Isomeric SMILES

C1=CSC(=C1)CCN2C=NN=C2SCC3=NC(=O)C4=C(N3)C=CC(=C4)Cl

InChI

InChI=1S/C17H14ClN5OS2/c18-11-3-4-14-13(8-11)16(24)21-15(20-14)9-26-17-22-19-10-23(17)6-5-12-2-1-7-25-12/h1-4,7-8,10H,5-6,9H2,(H,20,21,24)