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

Systemtic Name: 4-[(4-azanyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-methoxy-chromen-2-one Openeye Name: 4-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-methoxy-chromen-2-one CAS Name: 4-[[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]methyl]-7-methoxy-1-benzopyran-2-one IUPAC Name: 4-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-methoxychromen-2-one Traditional Name: 4-[[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]methyl]-7-methoxy-coumarin Formula: C19H22N4O3S MolecularWeight: 386.46798

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3N)C4CCCCC4

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3N)C4CCCCC4

InChI

InChI=1S/C19H22N4O3S/c1-25-14-7-8-15-13(9-17(24)26-16(15)10-14)11-27-19-22-21-18(23(19)20)12-5-3-2-4-6-12/h7-10,12H,2-6,11,20H2,1H3