[4-[(5-tert-butyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone

Systemtic Name: [4-[(5-tert-butyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone Openeye Name: [4-[(5-tert-butyl-3-thioxo-1H-1,2,4-triazol-2-yl)methyl]piperazin-1-yl]-(4-isopropylphenyl)methanone CAS Name: [4-[(5-tert-butyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl]-1-piperazinyl]-(4-propan-2-ylphenyl)methanone IUPAC Name: [4-[(5-tert-butyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone Traditional Name: [4-[(5-tert-butyl-3-thioxo-1H-1,2,4-triazol-2-yl)methyl]piperazino]-p-cumenyl-methanone Formula: C21H31N5OS MolecularWeight: 401.56874

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(=O)N2CCN(CC2)CN3C(=S)N=C(N3)C(C)(C)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(=O)N2CCN(CC2)CN3C(=S)N=C(N3)C(C)(C)C

InChI

InChI=1S/C21H31N5OS/c1-15(2)16-6-8-17(9-7-16)18(27)25-12-10-24(11-13-25)14-26-20(28)22-19(23-26)21(3,4)5/h6-9,15H,10-14H2,1-5H3,(H,22,23,28)