N-tert-butyl-2-[4-[(4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[(4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-1-yl]ethanamide Openeye Name: 2-[4-[(4-allyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperazin-1-yl]-N-tert-butyl-acetamide CAS Name: N-tert-butyl-2-[4-[(4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-1-piperazinyl]acetamide IUPAC Name: N-tert-butyl-2-[4-[(4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-1-yl]acetamide Traditional Name: 2-[4-[(4-allyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperazino]-N-tert-butyl-acetamide Formula: C16H28N6OS MolecularWeight: 352.49812

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CN1CCN(CC1)CN2C(=S)N(C=N2)CC=C

Isomeric SMILES

CC(C)(C)NC(=O)CN1CCN(CC1)CN2C(=S)N(C=N2)CC=C

InChI

InChI=1S/C16H28N6OS/c1-5-6-21-12-17-22(15(21)24)13-20-9-7-19(8-10-20)11-14(23)18-16(2,3)4/h5,12H,1,6-11,13H2,2-4H3,(H,18,23)