N-(4-tert-butylphenyl)-2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(4-tert-butylphenyl)-2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(4-tert-butylphenyl)-2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(4-tert-butylphenyl)-2-[[4-cyclopropyl-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-tert-butylphenyl)-2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(4-tert-butylphenyl)-2-[(4-cyclopropyl-5-pyrrolidino-1,2,4-triazol-3-yl)thio]acetamide Formula: C21H29N5OS MolecularWeight: 399.55286

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3CC3)N4CCCC4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3CC3)N4CCCC4

InChI

InChI=1S/C21H29N5OS/c1-21(2,3)15-6-8-16(9-7-15)22-18(27)14-28-20-24-23-19(25-12-4-5-13-25)26(20)17-10-11-17/h6-9,17H,4-5,10-14H2,1-3H3,(H,22,27)