4-(2,2-dimethylthian-4-yl)-1-phenyl-pyrazole-3,5-diamine

Systemtic Name: 4-(2,2-dimethylthian-4-yl)-1-phenyl-pyrazole-3,5-diamine Openeye Name: 4-(2,2-dimethyltetrahydrothiopyran-4-yl)-1-phenyl-pyrazole-3,5-diamine CAS Name: 4-(2,2-dimethyl-4-thianyl)-1-phenylpyrazole-3,5-diamine IUPAC Name: 4-(2,2-dimethylthian-4-yl)-1-phenylpyrazole-3,5-diamine Traditional Name: [5-amino-4-(2,2-dimethyltetrahydrothiopyran-4-yl)-1-phenyl-pyrazol-3-yl]amine Formula: C16H22N4S MolecularWeight: 302.43768

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CCS1)C2=C(N(N=C2N)C3=CC=CC=C3)N)C

Isomeric SMILES

CC1(CC(CCS1)C2=C(N(N=C2N)C3=CC=CC=C3)N)C

InChI

InChI=1S/C16H22N4S/c1-16(2)10-11(8-9-21-16)13-14(17)19-20(15(13)18)12-6-4-3-5-7-12/h3-7,11H,8-10,18H2,1-2H3,(H2,17,19)