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

Systemtic Name: 2-[(4-azanyl-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone Openeye Name: 2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone CAS Name: 2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)thio]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone IUPAC Name: 2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone Traditional Name: 2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)thio]-1-(3-phenyl-2-pyrazolin-1-yl)ethanone Formula: C17H22N6OS MolecularWeight: 358.46118

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN=C(N1N)SCC(=O)N2CCC(=N2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=NN=C(N1N)SCC(=O)N2CCC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C17H22N6OS/c1-17(2,3)15-19-20-16(23(15)18)25-11-14(24)22-10-9-13(21-22)12-7-5-4-6-8-12/h4-8H,9-11,18H2,1-3H3