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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-methyl-[(4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium Openeye Name: (4-allyl-5-thioxo-1,2,4-triazol-1-yl)methyl-(1,3-benzothiazol-2-ylmethyl)-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-methyl-[(4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]ammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-methyl-[(4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium Traditional Name: (4-allyl-5-thioxo-1,2,4-triazol-1-yl)methyl-(1,3-benzothiazol-2-ylmethyl)-methyl-ammonium Formula: C15H18N5S2+ MolecularWeight: 332.46692

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=NC2=CC=CC=C2S1)CN3C(=S)N(C=N3)CC=C

Isomeric SMILES

C[NH+](CC1=NC2=CC=CC=C2S1)CN3C(=S)N(C=N3)CC=C

InChI

InChI=1S/C15H17N5S2/c1-3-8-19-10-16-20(15(19)21)11-18(2)9-14-17-12-6-4-5-7-13(12)22-14/h3-7,10H,1,8-9,11H2,2H3/p+1