ethyl (E)-2-cyano-N-[(4Z,6Z)-nona-1,4,6,8-tetraen-2-yl]-3-thiophen-2-yl-but-2-enimidothioate

Systemtic Name: ethyl (E)-2-cyano-N-[(4Z,6Z)-nona-1,4,6,8-tetraen-2-yl]-3-thiophen-2-yl-but-2-enimidothioate Openeye Name: ethyl (E)-2-cyano-N-[(3Z,5Z)-1-methyleneocta-3,5,7-trienyl]-3-(2-thienyl)but-2-enimidothioate CAS Name: (E)-2-cyano-N-[(4Z,6Z)-nona-1,4,6,8-tetraen-2-yl]-3-thiophen-2-yl-2-butenimidothioic acid ethyl ester IUPAC Name: ethyl (E)-2-cyano-N-[(4Z,6Z)-nona-1,4,6,8-tetraen-2-yl]-3-thiophen-2-ylbut-2-enimidothioate Traditional Name: (E)-2-cyano-N-[(3Z,5Z)-1-methyleneocta-3,5,7-trienyl]-3-(2-thienyl)but-2-enimidothioic acid ethyl ester Formula: C20H22N2S2 MolecularWeight: 354.53208

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=NC(=C)CC=CC=CC=C)C(=C(C)C1=CC=CS1)C#N

Isomeric SMILES

CCSC(=NC(=C)C/C=C\C=C/C=C)/C(=C(\C)/C1=CC=CS1)/C#N

InChI

InChI=1S/C20H22N2S2/c1-5-7-8-9-10-12-16(3)22-20(23-6-2)18(15-21)17(4)19-13-11-14-24-19/h5,7-11,13-14H,1,3,6,12H2,2,4H3/b8-7-,10-9-,18-17+,22-20?