5-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine

Systemtic Name: 5-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine Openeye Name: 5-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-isobutyl-1,3,4-thiadiazol-2-amine CAS Name: 5-(1,3-benzothiazol-2-ylmethylthio)-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine IUPAC Name: 5-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine Traditional Name: [5-(1,3-benzothiazol-2-ylmethylthio)-1,3,4-thiadiazol-2-yl]-isobutyl-amine Formula: C14H16N4S3 MolecularWeight: 336.49864

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=NN=C(S1)SCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C)CNC1=NN=C(S1)SCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C14H16N4S3/c1-9(2)7-15-13-17-18-14(21-13)19-8-12-16-10-5-3-4-6-11(10)20-12/h3-6,9H,7-8H2,1-2H3,(H,15,17)