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

Systemtic Name: 4-[[4-(3-chloranyl-2-methyl-phenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methoxy-chromen-2-one Openeye Name: 4-[[4-(3-chloro-2-methyl-phenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methoxy-chromen-2-one CAS Name: 4-[[[4-(3-chloro-2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]methyl]-7-methoxy-1-benzopyran-2-one IUPAC Name: 4-[[4-(3-chloro-2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methoxychromen-2-one Traditional Name: 4-[[[4-(3-chloro-2-methyl-phenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-7-methoxy-coumarin Formula: C25H19ClN4O3S MolecularWeight: 490.96136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)N2C(=NN=C2SCC3=CC(=O)OC4=C3C=CC(=C4)OC)C5=CC=NC=C5

Isomeric SMILES

CC1=C(C=CC=C1Cl)N2C(=NN=C2SCC3=CC(=O)OC4=C3C=CC(=C4)OC)C5=CC=NC=C5

InChI

InChI=1S/C25H19ClN4O3S/c1-15-20(26)4-3-5-21(15)30-24(16-8-10-27-11-9-16)28-29-25(30)34-14-17-12-23(31)33-22-13-18(32-2)6-7-19(17)22/h3-13H,14H2,1-2H3