N-[3-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]propan-2-imine

Systemtic Name: N-[3-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]propan-2-imine Openeye Name: N-(3-benzylsulfanyl-1,2,4-triazol-4-yl)propan-2-imine CAS Name: N-[3-(phenylmethylthio)-1,2,4-triazol-4-yl]-2-propanimine IUPAC Name: N-(3-benzylsulfanyl-1,2,4-triazol-4-yl)propan-2-imine Traditional Name: [3-(benzylthio)-1,2,4-triazol-4-yl]-isopropylidene-amine Formula: C12H14N4S MolecularWeight: 246.33136

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NN1C=NN=C1SCC2=CC=CC=C2)C

Isomeric SMILES

CC(=NN1C=NN=C1SCC2=CC=CC=C2)C

InChI

InChI=1S/C12H14N4S/c1-10(2)15-16-9-13-14-12(16)17-8-11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3