2-(2-methylpropylsulfanyl)-N-[(5-phenyl-1,2,3,4-tetrazol-1-yl)methyl]-1,3-benzothiazol-6-amine

Systemtic Name: 2-(2-methylpropylsulfanyl)-N-[(5-phenyl-1,2,3,4-tetrazol-1-yl)methyl]-1,3-benzothiazol-6-amine Openeye Name: 2-isobutylsulfanyl-N-[(5-phenyltetrazol-1-yl)methyl]-1,3-benzothiazol-6-amine CAS Name: 2-(2-methylpropylthio)-N-[(5-phenyl-1-tetrazolyl)methyl]-1,3-benzothiazol-6-amine IUPAC Name: 2-(2-methylpropylsulfanyl)-N-[(5-phenyltetrazol-1-yl)methyl]-1,3-benzothiazol-6-amine Traditional Name: [2-(isobutylthio)-1,3-benzothiazol-6-yl]-[(5-phenyltetrazol-1-yl)methyl]amine Formula: C19H20N6S2 MolecularWeight: 396.5323

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=NC2=C(S1)C=C(C=C2)NCN3C(=NN=N3)C4=CC=CC=C4

Isomeric SMILES

CC(C)CSC1=NC2=C(S1)C=C(C=C2)NCN3C(=NN=N3)C4=CC=CC=C4

InChI

InChI=1S/C19H20N6S2/c1-13(2)11-26-19-21-16-9-8-15(10-17(16)27-19)20-12-25-18(22-23-24-25)14-6-4-3-5-7-14/h3-10,13,20H,11-12H2,1-2H3