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

Systemtic Name: 7-bromanyl-4-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one Openeye Name: 7-bromo-4-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one CAS Name: 7-bromo-4-[[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-bromo-4-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one Traditional Name: 7-bromo-4-[[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)thio]methyl]coumarin Formula: C17H16BrN3O2S MolecularWeight: 406.29684

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC(=O)OC3=C2C=CC(=C3)Br)C4CC4

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC(=O)OC3=C2C=CC(=C3)Br)C4CC4

InChI

InChI=1S/C17H16BrN3O2S/c1-2-21-16(10-3-4-10)19-20-17(21)24-9-11-7-15(22)23-14-8-12(18)5-6-13(11)14/h5-8,10H,2-4,9H2,1H3