5-(1-adamantyl)-N-[(2S)-butan-2-yl]-3-methyl-6H-1,3,4-thiadiazin-2-imine

Systemtic Name: 5-(1-adamantyl)-N-[(2S)-butan-2-yl]-3-methyl-6H-1,3,4-thiadiazin-2-imine Openeye Name: 5-(1-adamantyl)-3-methyl-N-[(1S)-1-methylpropyl]-6H-1,3,4-thiadiazin-2-imine CAS Name: 5-(1-adamantyl)-N-[(2S)-butan-2-yl]-3-methyl-6H-1,3,4-thiadiazin-2-imine IUPAC Name: 5-(1-adamantyl)-N-[(2S)-butan-2-yl]-3-methyl-6H-1,3,4-thiadiazin-2-imine Traditional Name: [5-(1-adamantyl)-3-methyl-6H-1,3,4-thiadiazin-2-ylidene]-[(1S)-1-methylpropyl]amine Formula: C18H29N3S MolecularWeight: 319.50796

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N=C1N(N=C(CS1)C23CC4CC(C2)CC(C4)C3)C

Isomeric SMILES

CC[C@H](C)N=C1N(N=C(CS1)C23CC4CC(C2)CC(C4)C3)C

InChI

InChI=1S/C18H29N3S/c1-4-12(2)19-17-21(3)20-16(11-22-17)18-8-13-5-14(9-18)7-15(6-13)10-18/h12-15H,4-11H2,1-3H3/t12-,13?,14?,15?,18?/m0/s1