cyclohexyl-[(Z)-(3-methyl-1-phenyl-5-sulfanylidene-pyrazol-4-ylidene)methyl]azanium

Systemtic Name: cyclohexyl-[(Z)-(3-methyl-1-phenyl-5-sulfanylidene-pyrazol-4-ylidene)methyl]azanium Openeye Name: cyclohexyl-[(Z)-(3-methyl-1-phenyl-5-thioxo-pyrazol-4-ylidene)methyl]ammonium CAS Name: cyclohexyl-[(Z)-(3-methyl-1-phenyl-5-sulfanylidene-4-pyrazolylidene)methyl]ammonium IUPAC Name: cyclohexyl-[(Z)-(3-methyl-1-phenyl-5-sulfanylidenepyrazol-4-ylidene)methyl]azanium Traditional Name: cyclohexyl-[(Z)-(3-methyl-1-phenyl-5-thioxo-2-pyrazolin-4-ylidene)methyl]ammonium Formula: C17H22N3S+ MolecularWeight: 300.44168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=S)C1=C[NH2+]C2CCCCC2)C3=CC=CC=C3

Isomeric SMILES

CC\1=NN(C(=S)/C1=C\[NH2+]C2CCCCC2)C3=CC=CC=C3

InChI

InChI=1S/C17H21N3S/c1-13-16(12-18-14-8-4-2-5-9-14)17(21)20(19-13)15-10-6-3-7-11-15/h3,6-7,10-12,14,18H,2,4-5,8-9H2,1H3/p+1/b16-12-