N,N-dimethyl-3-[3-[(6-methylsulfonyl-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-methylsulfonyl-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-methylsulfonyl-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-methylsulfonyl-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-methylsulfonyl-1,3-benzothiazol-2-yl)sulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-yl]propan-1-amine Traditional Name: 3-[3-[(6-mesyl-1,3-benzothiazol-2-yl)thio]-5-(2-thienyl)-1,2,4-triazol-4-yl]propyl-dimethyl-amine Formula: C19H21N5O2S4 MolecularWeight: 479.66234

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCN1C(=NN=C1SC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C)C4=CC=CS4

Isomeric SMILES

CN(C)CCCN1C(=NN=C1SC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C)C4=CC=CS4

InChI

InChI=1S/C19H21N5O2S4/c1-23(2)9-5-10-24-17(15-6-4-11-27-15)21-22-18(24)29-19-20-14-8-7-13(30(3,25)26)12-16(14)28-19/h4,6-8,11-12H,5,9-10H2,1-3H3