2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methoxyphenyl)-3-methyl-butanamide

Systemtic Name: 2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methoxyphenyl)-3-methyl-butanamide Openeye Name: 2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methoxyphenyl)-3-methyl-butanamide CAS Name: 2-[[4-cyclopropyl-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]-N-(4-methoxyphenyl)-3-methylbutanamide IUPAC Name: 2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methoxyphenyl)-3-methylbutanamide Traditional Name: 2-[(4-cyclopropyl-5-pyrrolidino-1,2,4-triazol-3-yl)thio]-N-(4-methoxyphenyl)-3-methyl-butyramide Formula: C21H29N5O2S MolecularWeight: 415.55226

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=CC=C(C=C1)OC)SC2=NN=C(N2C3CC3)N4CCCC4

Isomeric SMILES

CC(C)C(C(=O)NC1=CC=C(C=C1)OC)SC2=NN=C(N2C3CC3)N4CCCC4

InChI

InChI=1S/C21H29N5O2S/c1-14(2)18(19(27)22-15-6-10-17(28-3)11-7-15)29-21-24-23-20(25-12-4-5-13-25)26(21)16-8-9-16/h6-7,10-11,14,16,18H,4-5,8-9,12-13H2,1-3H3,(H,22,27)