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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=NN(C(=S)S2)C[NH+](C)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NN(C(=S)S2)C[NH+](C)CC3=NC4=CC=CC=C4S3

InChI

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