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

Systemtic Name: 4-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-methoxy-chromen-2-one Openeye Name: 4-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-methoxy-chromen-2-one CAS Name: 4-[[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)thio]methyl]-7-methoxy-1-benzopyran-2-one IUPAC Name: 4-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-methoxychromen-2-one Traditional Name: 4-[[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)thio]methyl]-7-methoxy-coumarin Formula: C17H17N3O3S MolecularWeight: 343.40018

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC(=O)OC3=C2C=CC(=C3)OC)C4CC4

Isomeric SMILES

CN1C(=NN=C1SCC2=CC(=O)OC3=C2C=CC(=C3)OC)C4CC4

InChI

InChI=1S/C17H17N3O3S/c1-20-16(10-3-4-10)18-19-17(20)24-9-11-7-15(21)23-14-8-12(22-2)5-6-13(11)14/h5-8,10H,3-4,9H2,1-2H3