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

Systemtic Name: [5-(3-ethoxypropylamino)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl-methyl-[(1-phenylpyrazol-4-yl)methyl]azanium Openeye Name: [5-(3-ethoxypropylamino)-2-thioxo-1,3,4-thiadiazol-3-yl]methyl-methyl-[(1-phenylpyrazol-4-yl)methyl]ammonium CAS Name: [5-(3-ethoxypropylamino)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl-methyl-[(1-phenyl-4-pyrazolyl)methyl]ammonium IUPAC Name: [5-(3-ethoxypropylamino)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl-methyl-[(1-phenylpyrazol-4-yl)methyl]azanium Traditional Name: [5-(3-ethoxypropylamino)-2-thioxo-1,3,4-thiadiazol-3-yl]methyl-methyl-[(1-phenylpyrazol-4-yl)methyl]ammonium Formula: C19H27N6OS2+ MolecularWeight: 419.58728

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC1=NN(C(=S)S1)C[NH+](C)CC2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

CCOCCCNC1=NN(C(=S)S1)C[NH+](C)CC2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C19H26N6OS2/c1-3-26-11-7-10-20-18-22-25(19(27)28-18)15-23(2)13-16-12-21-24(14-16)17-8-5-4-6-9-17/h4-6,8-9,12,14H,3,7,10-11,13,15H2,1-2H3,(H,20,22)/p+1