5-(4-chlorophenyl)-N-heptan-2-yl-3-methyl-1,3,4-thiadiazol-2-imine

Systemtic Name: 5-(4-chlorophenyl)-N-heptan-2-yl-3-methyl-1,3,4-thiadiazol-2-imine Openeye Name: 5-(4-chlorophenyl)-3-methyl-N-(1-methylhexyl)-1,3,4-thiadiazol-2-imine CAS Name: 5-(4-chlorophenyl)-N-heptan-2-yl-3-methyl-1,3,4-thiadiazol-2-imine IUPAC Name: 5-(4-chlorophenyl)-N-heptan-2-yl-3-methyl-1,3,4-thiadiazol-2-imine Traditional Name: [5-(4-chlorophenyl)-3-methyl-1,3,4-thiadiazol-2-ylidene]-(1-methylhexyl)amine Formula: C16H22ClN3S MolecularWeight: 323.88398

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)N=C1N(N=C(S1)C2=CC=C(C=C2)Cl)C

Isomeric SMILES

CCCCCC(C)N=C1N(N=C(S1)C2=CC=C(C=C2)Cl)C

InChI

InChI=1S/C16H22ClN3S/c1-4-5-6-7-12(2)18-16-20(3)19-15(21-16)13-8-10-14(17)11-9-13/h8-12H,4-7H2,1-3H3