(E)-1-(4-chlorophenyl)-3-(cyclopropylamino)-2-isocyano-but-2-ene-1-thione

Systemtic Name: (E)-1-(4-chlorophenyl)-3-(cyclopropylamino)-2-isocyano-but-2-ene-1-thione Openeye Name: (E)-1-(4-chlorophenyl)-3-(cyclopropylamino)-2-isocyano-but-2-ene-1-thione CAS Name: (E)-1-(4-chlorophenyl)-3-(cyclopropylamino)-2-isocyano-2-butene-1-thione IUPAC Name: (E)-1-(4-chlorophenyl)-3-(cyclopropylamino)-2-isocyanobut-2-ene-1-thione Traditional Name: (E)-1-(4-chlorophenyl)-3-(cyclopropylamino)-2-isocyano-but-2-ene-1-thione Formula: C14H13ClN2S MolecularWeight: 276.78442

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(=S)C1=CC=C(C=C1)Cl)[N+]#[C-])NC2CC2

Isomeric SMILES

C/C(=C(/C(=S)C1=CC=C(C=C1)Cl)\[N+]#[C-])/NC2CC2

InChI

InChI=1S/C14H13ClN2S/c1-9(17-12-7-8-12)13(16-2)14(18)10-3-5-11(15)6-4-10/h3-6,12,17H,7-8H2,1H3/b13-9+