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

Systemtic Name: 4-[(4-azanyl-5-tert-butyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-methoxy-chromen-2-one Openeye Name: 4-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-methoxy-chromen-2-one CAS Name: 4-[[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)thio]methyl]-7-methoxy-1-benzopyran-2-one IUPAC Name: 4-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-methoxychromen-2-one Traditional Name: 4-[[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)thio]methyl]-7-methoxy-coumarin Formula: C17H20N4O3S MolecularWeight: 360.4307

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN=C(N1N)SCC2=CC(=O)OC3=C2C=CC(=C3)OC

Isomeric SMILES

CC(C)(C)C1=NN=C(N1N)SCC2=CC(=O)OC3=C2C=CC(=C3)OC

InChI

InChI=1S/C17H20N4O3S/c1-17(2,3)15-19-20-16(21(15)18)25-9-10-7-14(22)24-13-8-11(23-4)5-6-12(10)13/h5-8H,9,18H2,1-4H3