N,N-dimethyl-3-[3-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-yl]propan-1-amine

Systemtic Name: N,N-dimethyl-3-[3-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-yl]propan-1-amine Openeye Name: N,N-dimethyl-3-[3-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-5-(2-thienyl)-1,2,4-triazol-4-yl]propan-1-amine CAS Name: N,N-dimethyl-3-[3-[(6-nitro-1,3-benzothiazol-2-yl)thio]-5-thiophen-2-yl-1,2,4-triazol-4-yl]-1-propanamine IUPAC Name: N,N-dimethyl-3-[3-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-yl]propan-1-amine Traditional Name: dimethyl-[3-[3-[(6-nitro-1,3-benzothiazol-2-yl)thio]-5-(2-thienyl)-1,2,4-triazol-4-yl]propyl]amine Formula: C18H18N6O2S3 MolecularWeight: 446.56952

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCN1C(=NN=C1SC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C4=CC=CS4

Isomeric SMILES

CN(C)CCCN1C(=NN=C1SC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C4=CC=CS4

InChI

InChI=1S/C18H18N6O2S3/c1-22(2)8-4-9-23-16(14-5-3-10-27-14)20-21-17(23)29-18-19-13-7-6-12(24(25)26)11-15(13)28-18/h3,5-7,10-11H,4,8-9H2,1-2H3