N,N-dimethyl-4-[3-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)sulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-yl]aniline

Systemtic Name: N,N-dimethyl-4-[3-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)sulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-yl]aniline Openeye Name: N,N-dimethyl-4-[3-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)sulfanyl]-5-(2-thienyl)-1,2,4-triazol-4-yl]aniline CAS Name: N,N-dimethyl-4-[3-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)thio]-5-thiophen-2-yl-1,2,4-triazol-4-yl]aniline IUPAC Name: N,N-dimethyl-4-[3-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)sulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-yl]aniline Traditional Name: [4-[3-[(6-mesyl-1,3-benzothiazol-2-yl)thio]-5-(2-thienyl)-1,2,4-triazol-4-yl]phenyl]-dimethyl-amine Formula: C22H19N5O2S4 MolecularWeight: 513.67856

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)N2C(=NN=C2SC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C)C5=CC=CS5

Isomeric SMILES

CN(C)C1=CC=C(C=C1)N2C(=NN=C2SC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C)C5=CC=CS5

InChI

InChI=1S/C22H19N5O2S4/c1-26(2)14-6-8-15(9-7-14)27-20(18-5-4-12-30-18)24-25-21(27)32-22-23-17-11-10-16(33(3,28)29)13-19(17)31-22/h4-13H,1-3H3