4-[[[4-(4-butylphenyl)-5-sulfanylidene-1,2,3,4-tetrazol-1-yl]methyl-methyl-amino]methyl]-N-methyl-benzamide

Systemtic Name: 4-[[[4-(4-butylphenyl)-5-sulfanylidene-1,2,3,4-tetrazol-1-yl]methyl-methyl-amino]methyl]-N-methyl-benzamide Openeye Name: 4-[[[4-(4-butylphenyl)-5-thioxo-tetrazol-1-yl]methyl-methyl-amino]methyl]-N-methyl-benzamide CAS Name: 4-[[[4-(4-butylphenyl)-5-sulfanylidene-1-tetrazolyl]methyl-methylamino]methyl]-N-methylbenzamide IUPAC Name: 4-[[[4-(4-butylphenyl)-5-sulfanylidenetetrazol-1-yl]methyl-methylamino]methyl]-N-methylbenzamide Traditional Name: 4-[[[4-(4-butylphenyl)-5-thioxo-tetrazol-1-yl]methyl-methyl-amino]methyl]-N-methyl-benzamide Formula: C22H28N6OS MolecularWeight: 424.56232

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=S)N(N=N2)CN(C)CC3=CC=C(C=C3)C(=O)NC

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=S)N(N=N2)CN(C)CC3=CC=C(C=C3)C(=O)NC

InChI

InChI=1S/C22H28N6OS/c1-4-5-6-17-9-13-20(14-10-17)28-22(30)27(24-25-28)16-26(3)15-18-7-11-19(12-8-18)21(29)23-2/h7-14H,4-6,15-16H2,1-3H3,(H,23,29)