2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6,7-dimethoxy-1H-quinazolin-4-one

Systemtic Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6,7-dimethoxy-1H-quinazolin-4-one Openeye Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6,7-dimethoxy-1H-quinazolin-4-one CAS Name: 2-[[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]methyl]-6,7-dimethoxy-1H-quinazolin-4-one IUPAC Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6,7-dimethoxy-1H-quinazolin-4-one Traditional Name: 2-[[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]methyl]-6,7-dimethoxy-1H-quinazolin-4-one Formula: C22H21N5O3S MolecularWeight: 435.49884

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N=C(N2)CSC3=NN(C(=N3)C4CC4)C5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N=C(N2)CSC3=NN(C(=N3)C4CC4)C5=CC=CC=C5)OC

InChI

InChI=1S/C22H21N5O3S/c1-29-17-10-15-16(11-18(17)30-2)23-19(24-21(15)28)12-31-22-25-20(13-8-9-13)27(26-22)14-6-4-3-5-7-14/h3-7,10-11,13H,8-9,12H2,1-2H3,(H,23,24,28)