4-[[4-azanyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methoxy-chromen-2-one

Systemtic Name: 4-[[4-azanyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methoxy-chromen-2-one Openeye Name: 4-[[4-amino-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methoxy-chromen-2-one CAS Name: 4-[[[4-amino-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]-7-methoxy-1-benzopyran-2-one IUPAC Name: 4-[[4-amino-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methoxychromen-2-one Traditional Name: 4-[[[4-amino-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]-7-methoxy-coumarin Formula: C20H18N4O4S MolecularWeight: 410.44632

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3N)C4=CC=CC=C4OC

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3N)C4=CC=CC=C4OC

InChI

InChI=1S/C20H18N4O4S/c1-26-13-7-8-14-12(9-18(25)28-17(14)10-13)11-29-20-23-22-19(24(20)21)15-5-3-4-6-16(15)27-2/h3-10H,11,21H2,1-2H3