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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=C(C=C1)OC)SC2=NN=C(N2C3CC3)N4CCCC4

Isomeric SMILES

CC(C(=O)NCCC1=CC=C(C=C1)OC)SC2=NN=C(N2C3CC3)N4CCCC4

InChI

InChI=1S/C21H29N5O2S/c1-15(19(27)22-12-11-16-5-9-18(28-2)10-6-16)29-21-24-23-20(25-13-3-4-14-25)26(21)17-7-8-17/h5-6,9-10,15,17H,3-4,7-8,11-14H2,1-2H3,(H,22,27)