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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-methyl-[[5-[(2-methylphenyl)amino]-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-methyl-[[5-(2-methylanilino)-2-thioxo-1,3,4-thiadiazol-3-yl]methyl]ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-methyl-[[5-(2-methylanilino)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]ammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-methyl-[[5-(2-methylanilino)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]azanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-methyl-[[5-(o-toluidino)-2-thioxo-1,3,4-thiadiazol-3-yl]methyl]ammonium Formula: C19H20N5S3+ MolecularWeight: 414.5906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=NN(C(=S)S2)C[NH+](C)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=CC=C1NC2=NN(C(=S)S2)C[NH+](C)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H19N5S3/c1-13-7-3-4-8-14(13)21-18-22-24(19(25)27-18)12-23(2)11-17-20-15-9-5-6-10-16(15)26-17/h3-10H,11-12H2,1-2H3,(H,21,22)/p+1