S-(1,3-benzothiazol-2-yl) 3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propanethioate

Systemtic Name: S-(1,3-benzothiazol-2-yl) 3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propanethioate Openeye Name: S-(1,3-benzothiazol-2-yl) 3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propanethioate CAS Name: 3-[(1,3,5-trimethyl-4-pyrazolyl)methylamino]propanethioic acid S-(1,3-benzothiazol-2-yl) ester IUPAC Name: S-(1,3-benzothiazol-2-yl) 3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propanethioate Traditional Name: 3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propanethioic acid S-(1,3-benzothiazol-2-yl) ester Formula: C17H20N4OS2 MolecularWeight: 360.4969

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)CNCCC(=O)SC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=C(C(=NN1C)C)CNCCC(=O)SC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H20N4OS2/c1-11-13(12(2)21(3)20-11)10-18-9-8-16(22)24-17-19-14-6-4-5-7-15(14)23-17/h4-7,18H,8-10H2,1-3H3