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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-methyl-[[5-(prop-2-enylamino)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]azanium Openeye Name: [5-(allylamino)-2-thioxo-1,3,4-thiadiazol-3-yl]methyl-(1,3-benzothiazol-2-ylmethyl)-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-methyl-[[5-(prop-2-enylamino)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]ammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-methyl-[[5-(prop-2-enylamino)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]azanium Traditional Name: [5-(allylamino)-2-thioxo-1,3,4-thiadiazol-3-yl]methyl-(1,3-benzothiazol-2-ylmethyl)-methyl-ammonium Formula: C15H18N5S3+ MolecularWeight: 364.53192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N5S3/c1-3-8-16-14-18-20(15(21)23-14)10-19(2)9-13-17-11-6-4-5-7-12(11)22-13/h3-7H,1,8-10H2,2H3,(H,16,18)/p+1