N2-[(1-tert-butyl-1,2,3,4-tetrazol-5-yl)-(4-methylsulfanylphenyl)methyl]cyclohexane-1,2-diamine

Systemtic Name: N2-[(1-tert-butyl-1,2,3,4-tetrazol-5-yl)-(4-methylsulfanylphenyl)methyl]cyclohexane-1,2-diamine Openeye Name: N2-[(1-tert-butyltetrazol-5-yl)-(4-methylsulfanylphenyl)methyl]cyclohexane-1,2-diamine CAS Name: N2-[(1-tert-butyl-5-tetrazolyl)-[4-(methylthio)phenyl]methyl]cyclohexane-1,2-diamine IUPAC Name: 2-N-[(1-tert-butyltetrazol-5-yl)-(4-methylsulfanylphenyl)methyl]cyclohexane-1,2-diamine Traditional Name: (2-aminocyclohexyl)-[(1-tert-butyltetrazol-5-yl)-[4-(methylthio)phenyl]methyl]amine Formula: C19H30N6S MolecularWeight: 374.5467

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=NN=N1)C(C2=CC=C(C=C2)SC)NC3CCCCC3N

Isomeric SMILES

CC(C)(C)N1C(=NN=N1)C(C2=CC=C(C=C2)SC)NC3CCCCC3N

InChI

InChI=1S/C19H30N6S/c1-19(2,3)25-18(22-23-24-25)17(13-9-11-14(26-4)12-10-13)21-16-8-6-5-7-15(16)20/h9-12,15-17,21H,5-8,20H2,1-4H3