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

Systemtic Name: N-tert-butyl-2-[4-[[5-(4-methoxyphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]piperazin-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[[5-(4-methoxyphenyl)-3-thioxo-1H-1,2,4-triazol-2-yl]methyl]piperazin-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[[5-(4-methoxyphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]-1-piperazinyl]acetamide IUPAC Name: N-tert-butyl-2-[4-[[5-(4-methoxyphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]piperazin-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[[5-(4-methoxyphenyl)-3-thioxo-1H-1,2,4-triazol-2-yl]methyl]piperazino]acetamide Formula: C20H30N6O2S MolecularWeight: 418.5562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N6O2S/c1-20(2,3)22-17(27)13-24-9-11-25(12-10-24)14-26-19(29)21-18(23-26)15-5-7-16(28-4)8-6-15/h5-8H,9-14H2,1-4H3,(H,22,27)(H,21,23,29)