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

Systemtic Name: 4-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-methoxy-chromen-2-one Openeye Name: 4-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methoxy-chromen-2-one CAS Name: 4-[[[4-cyclopropyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]methyl]-7-methoxy-1-benzopyran-2-one IUPAC Name: 4-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-methoxychromen-2-one Traditional Name: 4-[[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-7-methoxy-coumarin Formula: C21H18N4O3S MolecularWeight: 406.45762

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3C4CC4)C5=CN=CC=C5

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3C4CC4)C5=CN=CC=C5

InChI

InChI=1S/C21H18N4O3S/c1-27-16-6-7-17-14(9-19(26)28-18(17)10-16)12-29-21-24-23-20(25(21)15-4-5-15)13-3-2-8-22-11-13/h2-3,6-11,15H,4-5,12H2,1H3