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

Systemtic Name: 7-bromanyl-4-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one Openeye Name: 4-[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-bromo-chromen-2-one CAS Name: 7-bromo-4-[[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-bromo-4-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one Traditional Name: 4-[[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]methyl]-7-bromo-coumarin Formula: C18H16BrN3O2S MolecularWeight: 418.30754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16BrN3O2S/c1-2-7-22-17(11-3-4-11)20-21-18(22)25-10-12-8-16(23)24-15-9-13(19)5-6-14(12)15/h2,5-6,8-9,11H,1,3-4,7,10H2