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

Systemtic Name: 3-[1-[(4-chloranylphenoxy)methyl]pyrazol-4-yl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[1-[(4-chlorophenoxy)methyl]pyrazol-4-yl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[1-[(4-chlorophenoxy)methyl]-4-pyrazolyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[1-[(4-chlorophenoxy)methyl]pyrazol-4-yl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[1-[(4-chlorophenoxy)methyl]pyrazol-4-yl]-2-thioxo-1H-quinazolin-4-one Formula: C18H13ClN4O2S MolecularWeight: 384.83942

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=S)N2)C3=CN(N=C3)COC4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=S)N2)C3=CN(N=C3)COC4=CC=C(C=C4)Cl

InChI

InChI=1S/C18H13ClN4O2S/c19-12-5-7-14(8-6-12)25-11-22-10-13(9-20-22)23-17(24)15-3-1-2-4-16(15)21-18(23)26/h1-10H,11H2,(H,21,26)