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

Systemtic Name: 2-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-6,7-dimethoxy-1H-quinazolin-4-one Openeye Name: 2-[[4-cyclopropyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-6,7-dimethoxy-1H-quinazolin-4-one CAS Name: 2-[[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-6,7-dimethoxy-1H-quinazolin-4-one IUPAC Name: 2-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-6,7-dimethoxy-1H-quinazolin-4-one Traditional Name: 2-[[[4-cyclopropyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]methyl]-6,7-dimethoxy-1H-quinazolin-4-one Formula: C21H21N5O3S2 MolecularWeight: 455.55314

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N=C(N2)CSC3=NN=C(N3C4CC4)CC5=CC=CS5)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N=C(N2)CSC3=NN=C(N3C4CC4)CC5=CC=CS5)OC

InChI

InChI=1S/C21H21N5O3S2/c1-28-16-9-14-15(10-17(16)29-2)22-18(23-20(14)27)11-31-21-25-24-19(26(21)12-5-6-12)8-13-4-3-7-30-13/h3-4,7,9-10,12H,5-6,8,11H2,1-2H3,(H,22,23,27)