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

Systemtic Name: 2-[[4-azanyl-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-6-chloranyl-1H-quinazolin-4-one Openeye Name: 2-[[4-amino-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-6-chloro-1H-quinazolin-4-one CAS Name: 2-[[[4-amino-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]thio]methyl]-6-chloro-1H-quinazolin-4-one IUPAC Name: 2-[[4-amino-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-6-chloro-1H-quinazolin-4-one Traditional Name: 2-[[[4-amino-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]thio]methyl]-6-chloro-1H-quinazolin-4-one Formula: C19H17ClN6O3S MolecularWeight: 444.89468

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)OCC2=NN=C(N2N)SCC3=NC(=O)C4=C(N3)C=CC(=C4)Cl

Isomeric SMILES

COC1=CC(=CC=C1)OCC2=NN=C(N2N)SCC3=NC(=O)C4=C(N3)C=CC(=C4)Cl

InChI

InChI=1S/C19H17ClN6O3S/c1-28-12-3-2-4-13(8-12)29-9-17-24-25-19(26(17)21)30-10-16-22-15-6-5-11(20)7-14(15)18(27)23-16/h2-8H,9-10,21H2,1H3,(H,22,23,27)