2-methyl-5-(phenylmethyl)-1-sulfanyl-1,3-diazinane

Systemtic Name: 2-methyl-5-(phenylmethyl)-1-sulfanyl-1,3-diazinane Openeye Name: 5-benzyl-2-methyl-1-sulfanyl-hexahydropyrimidine CAS Name: 1-mercapto-2-methyl-5-(phenylmethyl)-1,3-diazinane IUPAC Name: 5-benzyl-2-methyl-1-sulfanyl-1,3-diazinane Traditional Name: 5-benzyl-1-mercapto-2-methyl-hexahydropyrimidine Formula: C12H18N2S MolecularWeight: 222.34972

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Descriptors Computed from Structure

Canonical SMILES:

CC1NCC(CN1S)CC2=CC=CC=C2

Isomeric SMILES

CC1NCC(CN1S)CC2=CC=CC=C2

InChI

InChI=1S/C12H18N2S/c1-10-13-8-12(9-14(10)15)7-11-5-3-2-4-6-11/h2-6,10,12-13,15H,7-9H2,1H3