2-(5-bromanyl-2-methoxy-phenyl)-4-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazole

Systemtic Name: 2-(5-bromanyl-2-methoxy-phenyl)-4-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazole Openeye Name: 2-(5-bromo-2-methoxy-phenyl)-4-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanylmethyl]thiazole CAS Name: 2-(5-bromo-2-methoxyphenyl)-4-[[[4-cyclopropyl-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]methyl]thiazole IUPAC Name: 2-(5-bromo-2-methoxyphenyl)-4-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazole Traditional Name: 2-(5-bromo-2-methoxy-phenyl)-4-[[(4-cyclopropyl-5-pyrrolidino-1,2,4-triazol-3-yl)thio]methyl]thiazole Formula: C20H22BrN5OS2 MolecularWeight: 492.45558

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C2=NC(=CS2)CSC3=NN=C(N3C4CC4)N5CCCC5

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C2=NC(=CS2)CSC3=NN=C(N3C4CC4)N5CCCC5

InChI

InChI=1S/C20H22BrN5OS2/c1-27-17-7-4-13(21)10-16(17)18-22-14(11-28-18)12-29-20-24-23-19(25-8-2-3-9-25)26(20)15-5-6-15/h4,7,10-11,15H,2-3,5-6,8-9,12H2,1H3