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

Systemtic Name: 4-[[4-azanyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methoxy-chromen-2-one Openeye Name: 4-[[4-amino-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methoxy-chromen-2-one CAS Name: 4-[[[4-amino-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]thio]methyl]-7-methoxy-1-benzopyran-2-one IUPAC Name: 4-[[4-amino-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methoxychromen-2-one Traditional Name: 4-[[[4-amino-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]thio]methyl]-7-methoxy-coumarin Formula: C23H24N4O3S MolecularWeight: 436.52666

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2N)SCC3=CC(=O)OC4=C3C=CC(=C4)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2N)SCC3=CC(=O)OC4=C3C=CC(=C4)OC

InChI

InChI=1S/C23H24N4O3S/c1-23(2,3)16-7-5-14(6-8-16)21-25-26-22(27(21)24)31-13-15-11-20(28)30-19-12-17(29-4)9-10-18(15)19/h5-12H,13,24H2,1-4H3