N,N-dimethyl-4-[3-[(6-nitro-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-nitro-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-nitro-1,3-benzothiazol-2-yl)sulfanyl]-5-(2-thienyl)-1,2,4-triazol-4-yl]aniline CAS Name: N,N-dimethyl-4-[3-[(6-nitro-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-nitro-1,3-benzothiazol-2-yl)sulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-yl]aniline Traditional Name: dimethyl-[4-[3-[(6-nitro-1,3-benzothiazol-2-yl)thio]-5-(2-thienyl)-1,2,4-triazol-4-yl]phenyl]amine Formula: C21H16N6O2S3 MolecularWeight: 480.58574

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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)[N+](=O)[O-])C5=CC=CS5

Isomeric SMILES

CN(C)C1=CC=C(C=C1)N2C(=NN=C2SC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])C5=CC=CS5

InChI

InChI=1S/C21H16N6O2S3/c1-25(2)13-5-7-14(8-6-13)26-19(17-4-3-11-30-17)23-24-20(26)32-21-22-16-10-9-15(27(28)29)12-18(16)31-21/h3-12H,1-2H3