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

Systemtic Name: 1-(3,4-dimethylphenyl)-N-(1,4-dithiepan-6-yl)-4,5,6,7-tetrahydroindazol-4-amine Openeye Name: 1-(3,4-dimethylphenyl)-N-(1,4-dithiepan-6-yl)-4,5,6,7-tetrahydroindazol-4-amine CAS Name: 1-(3,4-dimethylphenyl)-N-(1,4-dithiepan-6-yl)-4,5,6,7-tetrahydroindazol-4-amine IUPAC Name: 1-(3,4-dimethylphenyl)-N-(1,4-dithiepan-6-yl)-4,5,6,7-tetrahydroindazol-4-amine Traditional Name: [1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-(1,4-dithiepan-6-yl)amine Formula: C20H27N3S2 MolecularWeight: 373.57848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C3=C(C=N2)C(CCC3)NC4CSCCSC4)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C3=C(C=N2)C(CCC3)NC4CSCCSC4)C

InChI

InChI=1S/C20H27N3S2/c1-14-6-7-17(10-15(14)2)23-20-5-3-4-19(18(20)11-21-23)22-16-12-24-8-9-25-13-16/h6-7,10-11,16,19,22H,3-5,8-9,12-13H2,1-2H3