3-[3-[(2-chloranylphenoxy)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-2-methyl-quinazolin-4-one

Systemtic Name: 3-[3-[(2-chloranylphenoxy)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-2-methyl-quinazolin-4-one Openeye Name: 3-[3-[(2-chlorophenoxy)methyl]-5-thioxo-1H-1,2,4-triazol-4-yl]-2-methyl-quinazolin-4-one CAS Name: 3-[3-[(2-chlorophenoxy)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-2-methyl-4-quinazolinone IUPAC Name: 3-[3-[(2-chlorophenoxy)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-2-methylquinazolin-4-one Traditional Name: 3-[3-[(2-chlorophenoxy)methyl]-5-thioxo-1H-1,2,4-triazol-4-yl]-2-methyl-quinazolin-4-one Formula: C18H14ClN5O2S MolecularWeight: 399.85406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=O)N1N3C(=NNC3=S)COC4=CC=CC=C4Cl

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=O)N1N3C(=NNC3=S)COC4=CC=CC=C4Cl

InChI

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