N-(1,3-benzothiazol-2-ylmethyl)-1-(1-methylpyrazol-4-yl)methanamine

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-1-(1-methylpyrazol-4-yl)methanamine Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-1-(1-methylpyrazol-4-yl)methanamine CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-1-(1-methyl-4-pyrazolyl)methanamine IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-1-(1-methylpyrazol-4-yl)methanamine Traditional Name: 1,3-benzothiazol-2-ylmethyl-[(1-methylpyrazol-4-yl)methyl]amine Formula: C13H14N4S MolecularWeight: 258.34206

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CNCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CN1C=C(C=N1)CNCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C13H14N4S/c1-17-9-10(7-15-17)6-14-8-13-16-11-4-2-3-5-12(11)18-13/h2-5,7,9,14H,6,8H2,1H3