2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-ethanamide

Systemtic Name: 2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-ethanamide Openeye Name: 2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-acetamide CAS Name: 2-[[4-cyclopropyl-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylacetamide IUPAC Name: 2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylacetamide Traditional Name: 2-[(4-cyclopropyl-5-pyrrolidino-1,2,4-triazol-3-yl)thio]-N-ethyl-N-veratryl-acetamide Formula: C22H31N5O3S MolecularWeight: 445.57824

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC(=C(C=C1)OC)OC)C(=O)CSC2=NN=C(N2C3CC3)N4CCCC4

Isomeric SMILES

CCN(CC1=CC(=C(C=C1)OC)OC)C(=O)CSC2=NN=C(N2C3CC3)N4CCCC4

InChI

InChI=1S/C22H31N5O3S/c1-4-25(14-16-7-10-18(29-2)19(13-16)30-3)20(28)15-31-22-24-23-21(26-11-5-6-12-26)27(22)17-8-9-17/h7,10,13,17H,4-6,8-9,11-12,14-15H2,1-3H3