[5-(cyclohexylamino)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl-methyl-(phenylmethyl)azanium

Systemtic Name: [5-(cyclohexylamino)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[[5-(cyclohexylamino)-2-thioxo-1,3,4-thiadiazol-3-yl]methyl]-methyl-ammonium CAS Name: [5-(cyclohexylamino)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[[5-(cyclohexylamino)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]-methylazanium Traditional Name: benzyl-[[5-(cyclohexylamino)-2-thioxo-1,3,4-thiadiazol-3-yl]methyl]-methyl-ammonium Formula: C17H25N4S2+ MolecularWeight: 349.5372

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)CN2C(=S)SC(=N2)NC3CCCCC3

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)CN2C(=S)SC(=N2)NC3CCCCC3

InChI

InChI=1S/C17H24N4S2/c1-20(12-14-8-4-2-5-9-14)13-21-17(22)23-16(19-21)18-15-10-6-3-7-11-15/h2,4-5,8-9,15H,3,6-7,10-13H2,1H3,(H,18,19)/p+1