[5-(1,3-benzodioxol-5-yl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl-bis(2-cyanoethyl)azanium

Systemtic Name: [5-(1,3-benzodioxol-5-yl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl-bis(2-cyanoethyl)azanium Openeye Name: [5-(1,3-benzodioxol-5-yl)-2-thioxo-1,3,4-oxadiazol-3-yl]methyl-bis(2-cyanoethyl)ammonium CAS Name: [5-(1,3-benzodioxol-5-yl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl-bis(2-cyanoethyl)ammonium IUPAC Name: [5-(1,3-benzodioxol-5-yl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl-bis(2-cyanoethyl)azanium Traditional Name: [5-(1,3-benzodioxol-5-yl)-2-thioxo-1,3,4-oxadiazol-3-yl]methyl-bis(2-cyanoethyl)ammonium Formula: C16H16N5O3S+ MolecularWeight: 358.39494

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NN(C(=S)O3)C[NH+](CCC#N)CCC#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NN(C(=S)O3)C[NH+](CCC#N)CCC#N

InChI

InChI=1S/C16H15N5O3S/c17-5-1-7-20(8-2-6-18)10-21-16(25)24-15(19-21)12-3-4-13-14(9-12)23-11-22-13/h3-4,9H,1-2,7-8,10-11H2/p+1