4-[[4-azanyl-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-6,7-dimethyl-chromen-2-one

Systemtic Name: 4-[[4-azanyl-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-6,7-dimethyl-chromen-2-one Openeye Name: 4-[[4-amino-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-6,7-dimethyl-chromen-2-one CAS Name: 4-[[[4-amino-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]-6,7-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[[4-amino-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-6,7-dimethylchromen-2-one Traditional Name: 4-[[[4-amino-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]-6,7-dimethyl-coumarin Formula: C22H22N4O4S MolecularWeight: 438.49948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NN=C(N3N)C4=CC(=C(C=C4)OC)OC)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NN=C(N3N)C4=CC(=C(C=C4)OC)OC)C

InChI

InChI=1S/C22H22N4O4S/c1-12-7-16-15(10-20(27)30-18(16)8-13(12)2)11-31-22-25-24-21(26(22)23)14-5-6-17(28-3)19(9-14)29-4/h5-10H,11,23H2,1-4H3