2-[(4-azanyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)ethanone

Systemtic Name: 2-[(4-azanyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)ethanone Openeye Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-1-[3,5-bis(2-thienyl)-3,4-dihydropyrazol-2-yl]ethanone CAS Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)ethanone IUPAC Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)ethanone Traditional Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-1-[3,5-bis(2-thienyl)-2-pyrazolin-1-yl]ethanone Formula: C21H24N6OS3 MolecularWeight: 472.64986

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NN=C(N2N)SCC(=O)N3C(CC(=N3)C4=CC=CS4)C5=CC=CS5

Isomeric SMILES

C1CCC(CC1)C2=NN=C(N2N)SCC(=O)N3C(CC(=N3)C4=CC=CS4)C5=CC=CS5

InChI

InChI=1S/C21H24N6OS3/c22-26-20(14-6-2-1-3-7-14)23-24-21(26)31-13-19(28)27-16(18-9-5-11-30-18)12-15(25-27)17-8-4-10-29-17/h4-5,8-11,14,16H,1-3,6-7,12-13,22H2