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

Systemtic Name: 7-bromanyl-4-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one Openeye Name: 7-bromo-4-[[4-cyclopropyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one CAS Name: 7-bromo-4-[[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-bromo-4-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one Traditional Name: 7-bromo-4-[[[4-cyclopropyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]methyl]coumarin Formula: C20H16BrN3O2S2 MolecularWeight: 474.39394

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC3=CC(=O)OC4=C3C=CC(=C4)Br)CC5=CC=CS5

Isomeric SMILES

C1CC1N2C(=NN=C2SCC3=CC(=O)OC4=C3C=CC(=C4)Br)CC5=CC=CS5

InChI

InChI=1S/C20H16BrN3O2S2/c21-13-3-6-16-12(8-19(25)26-17(16)9-13)11-28-20-23-22-18(24(20)14-4-5-14)10-15-2-1-7-27-15/h1-3,6-9,14H,4-5,10-11H2