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

Systemtic Name: 4-[(4-azanyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-bromanyl-chromen-2-one Openeye Name: 4-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-bromo-chromen-2-one CAS Name: 4-[[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]methyl]-7-bromo-1-benzopyran-2-one IUPAC Name: 4-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-bromochromen-2-one Traditional Name: 4-[[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]methyl]-7-bromo-coumarin Formula: C18H19BrN4O2S MolecularWeight: 435.33806

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NN=C(N2N)SCC3=CC(=O)OC4=C3C=CC(=C4)Br

Isomeric SMILES

C1CCC(CC1)C2=NN=C(N2N)SCC3=CC(=O)OC4=C3C=CC(=C4)Br

InChI

InChI=1S/C18H19BrN4O2S/c19-13-6-7-14-12(8-16(24)25-15(14)9-13)10-26-18-22-21-17(23(18)20)11-4-2-1-3-5-11/h6-9,11H,1-5,10,20H2