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

Systemtic Name: 4-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-(3,4-dimethoxyphenyl)-1,3-thiazole Openeye Name: 4-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-(3,4-dimethoxyphenyl)thiazole CAS Name: 4-[[[4-cyclopropyl-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]methyl]-2-(3,4-dimethoxyphenyl)thiazole IUPAC Name: 4-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-(3,4-dimethoxyphenyl)-1,3-thiazole Traditional Name: 4-[[(4-cyclopropyl-5-pyrrolidino-1,2,4-triazol-3-yl)thio]methyl]-2-(3,4-dimethoxyphenyl)thiazole Formula: C21H25N5O2S2 MolecularWeight: 443.5855

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5O2S2/c1-27-17-8-5-14(11-18(17)28-2)19-22-15(12-29-19)13-30-21-24-23-20(25-9-3-4-10-25)26(21)16-6-7-16/h5,8,11-12,16H,3-4,6-7,9-10,13H2,1-2H3