N-tert-butyl-2-[4-[(4-methyl-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[(4-methyl-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[(4-methyl-3-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperazin-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[(4-methyl-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-1-piperazinyl]acetamide IUPAC Name: N-tert-butyl-2-[4-[(4-methyl-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[(4-methyl-3-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperazino]acetamide Formula: C20H30N6OS MolecularWeight: 402.5568

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CN1CCN(CC1)CN2C(=S)N(C(=N2)C3=CC=CC=C3)C

Isomeric SMILES

CC(C)(C)NC(=O)CN1CCN(CC1)CN2C(=S)N(C(=N2)C3=CC=CC=C3)C

InChI

InChI=1S/C20H30N6OS/c1-20(2,3)21-17(27)14-24-10-12-25(13-11-24)15-26-19(28)23(4)18(22-26)16-8-6-5-7-9-16/h5-9H,10-15H2,1-4H3,(H,21,27)