N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(1-phenyl-1,2,3,4-tetrazol-5-yl)methanamine

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(1-phenyl-1,2,3,4-tetrazol-5-yl)methanamine Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(1-phenyltetrazol-5-yl)methanamine CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(1-phenyl-5-tetrazolyl)methanamine IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(1-phenyltetrazol-5-yl)methanamine Traditional Name: 1,3-benzothiazol-2-ylmethyl-methyl-[(1-phenyltetrazol-5-yl)methyl]amine Formula: C17H16N6S MolecularWeight: 336.41414

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NN=NN1C2=CC=CC=C2)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CN(CC1=NN=NN1C2=CC=CC=C2)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C17H16N6S/c1-22(12-17-18-14-9-5-6-10-15(14)24-17)11-16-19-20-21-23(16)13-7-3-2-4-8-13/h2-10H,11-12H2,1H3