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

Systemtic Name: 7-methoxy-4-[[5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one Openeye Name: 7-methoxy-4-[[5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one CAS Name: 7-methoxy-4-[[[5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-methoxy-4-[[5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one Traditional Name: 7-methoxy-4-[[[5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]methyl]coumarin Formula: C28H25N3O4S MolecularWeight: 499.5808

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3CCC4=CC=CC=C4)C5=CC=CC=C5OC

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3CCC4=CC=CC=C4)C5=CC=CC=C5OC

InChI

InChI=1S/C28H25N3O4S/c1-33-21-12-13-22-20(16-26(32)35-25(22)17-21)18-36-28-30-29-27(23-10-6-7-11-24(23)34-2)31(28)15-14-19-8-4-3-5-9-19/h3-13,16-17H,14-15,18H2,1-2H3