N4-[(1-butyl-1,2,3,4-tetrazol-5-yl)-(4-methylsulfanylphenyl)methyl]cyclohexane-1,4-diamine

Systemtic Name: N4-[(1-butyl-1,2,3,4-tetrazol-5-yl)-(4-methylsulfanylphenyl)methyl]cyclohexane-1,4-diamine Openeye Name: N4-[(1-butyltetrazol-5-yl)-(4-methylsulfanylphenyl)methyl]cyclohexane-1,4-diamine CAS Name: N4-[(1-butyl-5-tetrazolyl)-[4-(methylthio)phenyl]methyl]cyclohexane-1,4-diamine IUPAC Name: 4-N-[(1-butyltetrazol-5-yl)-(4-methylsulfanylphenyl)methyl]cyclohexane-1,4-diamine Traditional Name: (4-aminocyclohexyl)-[(1-butyltetrazol-5-yl)-[4-(methylthio)phenyl]methyl]amine Formula: C19H30N6S MolecularWeight: 374.5467

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=N1)C(C2=CC=C(C=C2)SC)NC3CCC(CC3)N

Isomeric SMILES

CCCCN1C(=NN=N1)C(C2=CC=C(C=C2)SC)NC3CCC(CC3)N

InChI

InChI=1S/C19H30N6S/c1-3-4-13-25-19(22-23-24-25)18(14-5-11-17(26-2)12-6-14)21-16-9-7-15(20)8-10-16/h5-6,11-12,15-16,18,21H,3-4,7-10,13,20H2,1-2H3