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

Systemtic Name: 4-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methoxy-chromen-2-one Openeye Name: 4-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methoxy-chromen-2-one CAS Name: 4-[[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]-7-methoxy-1-benzopyran-2-one IUPAC Name: 4-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methoxychromen-2-one Traditional Name: 4-[[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]-7-methoxy-coumarin Formula: C20H16ClN3O3S MolecularWeight: 413.87734

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC(=O)OC3=C2C=CC(=C3)OC)C4=CC=C(C=C4)Cl

Isomeric SMILES

CN1C(=NN=C1SCC2=CC(=O)OC3=C2C=CC(=C3)OC)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H16ClN3O3S/c1-24-19(12-3-5-14(21)6-4-12)22-23-20(24)28-11-13-9-18(25)27-17-10-15(26-2)7-8-16(13)17/h3-10H,11H2,1-2H3