1,3-benzothiazol-2-ylmethyl-[(4-ethyl-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-methyl-azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[(4-ethyl-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-methyl-azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[(4-ethyl-3-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[(4-ethyl-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[(4-ethyl-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[(4-ethyl-3-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]-methyl-ammonium Formula: C20H22N5S2+ MolecularWeight: 396.55218

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)C[NH+](C)CC2=NC3=CC=CC=C3S2)C4=CC=CC=C4

Isomeric SMILES

CCN1C(=NN(C1=S)C[NH+](C)CC2=NC3=CC=CC=C3S2)C4=CC=CC=C4

InChI

InChI=1S/C20H21N5S2/c1-3-24-19(15-9-5-4-6-10-15)22-25(20(24)26)14-23(2)13-18-21-16-11-7-8-12-17(16)27-18/h4-12H,3,13-14H2,1-2H3/p+1