2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-piperidin-1-ylphenyl)ethanamide

Systemtic Name: 2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-piperidin-1-ylphenyl)ethanamide Openeye Name: 2-[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(1-piperidyl)phenyl]acetamide CAS Name: 2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-N-[4-(1-piperidinyl)phenyl]acetamide IUPAC Name: 2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-piperidin-1-ylphenyl)acetamide Traditional Name: 2-[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-(4-piperidinophenyl)acetamide Formula: C21H27N5OS MolecularWeight: 397.53698

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)N3CCCCC3)C4CC4

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)N3CCCCC3)C4CC4

InChI

InChI=1S/C21H27N5OS/c1-2-12-26-20(16-6-7-16)23-24-21(26)28-15-19(27)22-17-8-10-18(11-9-17)25-13-4-3-5-14-25/h2,8-11,16H,1,3-7,12-15H2,(H,22,27)