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

Systemtic Name: 6-chloranyl-2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 6-chloro-2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 6-chloro-2-[[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 6-chloro-2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 6-chloro-2-[[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one Formula: C18H14ClN5O2S MolecularWeight: 399.85406

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C=NN=C2SCC3=NC(=O)C4=C(N3)C=CC(=C4)Cl

Isomeric SMILES

COC1=CC=CC=C1N2C=NN=C2SCC3=NC(=O)C4=C(N3)C=CC(=C4)Cl

InChI

InChI=1S/C18H14ClN5O2S/c1-26-15-5-3-2-4-14(15)24-10-20-23-18(24)27-9-16-21-13-7-6-11(19)8-12(13)17(25)22-16/h2-8,10H,9H2,1H3,(H,21,22,25)