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

Systemtic Name: 4-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-methoxy-chromen-2-one Openeye Name: 4-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-methoxy-chromen-2-one CAS Name: 4-[[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]methyl]-7-methoxy-1-benzopyran-2-one IUPAC Name: 4-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-methoxychromen-2-one Traditional Name: 4-[[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]methyl]-7-methoxy-coumarin Formula: C22H19N3O3S MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3C4=CC=CC=C4)C5CC5

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3C4=CC=CC=C4)C5CC5

InChI

InChI=1S/C22H19N3O3S/c1-27-17-9-10-18-15(11-20(26)28-19(18)12-17)13-29-22-24-23-21(14-7-8-14)25(22)16-5-3-2-4-6-16/h2-6,9-12,14H,7-8,13H2,1H3