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

Systemtic Name: 4-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-methoxy-chromen-2-one Openeye Name: 4-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methoxy-chromen-2-one CAS Name: 4-[[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]methyl]-7-methoxy-1-benzopyran-2-one IUPAC Name: 4-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-methoxychromen-2-one Traditional Name: 4-[[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]methyl]-7-methoxy-coumarin Formula: C20H17N3O3S2 MolecularWeight: 411.49728

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3C4CC4)C5=CC=CS5

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3C4CC4)C5=CC=CS5

InChI

InChI=1S/C20H17N3O3S2/c1-25-14-6-7-15-12(9-18(24)26-16(15)10-14)11-28-20-22-21-19(17-3-2-8-27-17)23(20)13-4-5-13/h2-3,6-10,13H,4-5,11H2,1H3