1-(3,4-dimethylphenyl)-N-(thian-4-yl)-4,5,6,7-tetrahydroindazol-4-amine

Systemtic Name: 1-(3,4-dimethylphenyl)-N-(thian-4-yl)-4,5,6,7-tetrahydroindazol-4-amine Openeye Name: 1-(3,4-dimethylphenyl)-N-tetrahydrothiopyran-4-yl-4,5,6,7-tetrahydroindazol-4-amine CAS Name: 1-(3,4-dimethylphenyl)-N-(4-thianyl)-4,5,6,7-tetrahydroindazol-4-amine IUPAC Name: 1-(3,4-dimethylphenyl)-N-(thian-4-yl)-4,5,6,7-tetrahydroindazol-4-amine Traditional Name: [1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-tetrahydrothiopyran-4-yl-amine Formula: C20H27N3S MolecularWeight: 341.51348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C3=C(C=N2)C(CCC3)NC4CCSCC4)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C3=C(C=N2)C(CCC3)NC4CCSCC4)C

InChI

InChI=1S/C20H27N3S/c1-14-6-7-17(12-15(14)2)23-20-5-3-4-19(18(20)13-21-23)22-16-8-10-24-11-9-16/h6-7,12-13,16,19,22H,3-5,8-11H2,1-2H3