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

Systemtic Name: 2-[[4-(4-butylphenyl)-5-sulfanylidene-1,2,3,4-tetrazol-1-yl]methyl-methyl-amino]-N-propan-2-yl-ethanamide Openeye Name: 2-[[4-(4-butylphenyl)-5-thioxo-tetrazol-1-yl]methyl-methyl-amino]-N-isopropyl-acetamide CAS Name: 2-[[4-(4-butylphenyl)-5-sulfanylidene-1-tetrazolyl]methyl-methylamino]-N-propan-2-ylacetamide IUPAC Name: 2-[[4-(4-butylphenyl)-5-sulfanylidenetetrazol-1-yl]methyl-methylamino]-N-propan-2-ylacetamide Traditional Name: 2-[[4-(4-butylphenyl)-5-thioxo-tetrazol-1-yl]methyl-methyl-amino]-N-isopropyl-acetamide Formula: C18H28N6OS MolecularWeight: 376.51952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N6OS/c1-5-6-7-15-8-10-16(11-9-15)24-18(26)23(20-21-24)13-22(4)12-17(25)19-14(2)3/h8-11,14H,5-7,12-13H2,1-4H3,(H,19,25)