5,6-dimethyl-3-(phenylmethylsulfanyl)-1,2,4-triazine

Systemtic Name: 5,6-dimethyl-3-(phenylmethylsulfanyl)-1,2,4-triazine Openeye Name: 3-benzylsulfanyl-5,6-dimethyl-1,2,4-triazine CAS Name: 5,6-dimethyl-3-(phenylmethylthio)-1,2,4-triazine IUPAC Name: 3-benzylsulfanyl-5,6-dimethyl-1,2,4-triazine Traditional Name: 3-(benzylthio)-5,6-dimethyl-1,2,4-triazine Formula: C12H13N3S MolecularWeight: 231.31672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=NC(=N1)SCC2=CC=CC=C2)C

Isomeric SMILES

CC1=C(N=NC(=N1)SCC2=CC=CC=C2)C

InChI

InChI=1S/C12H13N3S/c1-9-10(2)14-15-12(13-9)16-8-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3