6-chloranyl-2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one

Systemtic Name: 6-chloranyl-2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 6-chloro-2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 6-chloro-2-[[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 6-chloro-2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 6-chloro-2-[[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one Formula: C24H18ClN5O2S MolecularWeight: 475.95002

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=NC(=O)C5=C(N4)C=CC(=C5)Cl

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=NC(=O)C5=C(N4)C=CC(=C5)Cl

InChI

InChI=1S/C24H18ClN5O2S/c1-32-18-10-7-15(8-11-18)22-28-29-24(30(22)17-5-3-2-4-6-17)33-14-21-26-20-12-9-16(25)13-19(20)23(31)27-21/h2-13H,14H2,1H3,(H,26,27,31)