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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-methyl-[[3-methyl-4-(phenylmethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[(4-benzyl-3-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-methyl-[[3-methyl-4-(phenylmethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]ammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[(4-benzyl-3-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[(4-benzyl-3-methyl-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:

CC1=NN(C(=S)N1CC2=CC=CC=C2)C[NH+](C)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=NN(C(=S)N1CC2=CC=CC=C2)C[NH+](C)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H21N5S2/c1-15-22-25(20(26)24(15)12-16-8-4-3-5-9-16)14-23(2)13-19-21-17-10-6-7-11-18(17)27-19/h3-11H,12-14H2,1-2H3/p+1