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

Systemtic Name: 6-chloranyl-2-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 6-chloro-2-[[4-phenethyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 6-chloro-2-[[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 6-chloro-2-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 6-chloro-2-[[[4-phenethyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one Formula: C24H20ClN5OS2 MolecularWeight: 494.0315

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=NN=C2SCC3=NC(=O)C4=C(N3)C=CC(=C4)Cl)CC5=CC=CS5

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=NN=C2SCC3=NC(=O)C4=C(N3)C=CC(=C4)Cl)CC5=CC=CS5

InChI

InChI=1S/C24H20ClN5OS2/c25-17-8-9-20-19(13-17)23(31)27-21(26-20)15-33-24-29-28-22(14-18-7-4-12-32-18)30(24)11-10-16-5-2-1-3-6-16/h1-9,12-13H,10-11,14-15H2,(H,26,27,31)