2-[(4-azanyl-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone

Systemtic Name: 2-[(4-azanyl-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone Openeye Name: 2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone CAS Name: 2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)thio]-1-(4-phenyl-1-piperazinyl)ethanone IUPAC Name: 2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone Traditional Name: 2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)thio]-1-(4-phenylpiperazino)ethanone Formula: C18H26N6OS MolecularWeight: 374.50364

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN=C(N1N)SCC(=O)N2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=NN=C(N1N)SCC(=O)N2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C18H26N6OS/c1-18(2,3)16-20-21-17(24(16)19)26-13-15(25)23-11-9-22(10-12-23)14-7-5-4-6-8-14/h4-8H,9-13,19H2,1-3H3