S-heptyl (NE)-N-(1-phenyl-6-propoxy-pyridazin-4-ylidene)carbamothioate

Systemtic Name: S-heptyl (NE)-N-(1-phenyl-6-propoxy-pyridazin-4-ylidene)carbamothioate Openeye Name: S-heptyl (NE)-N-(1-phenyl-6-propoxy-pyridazin-4-ylidene)carbamothioate CAS Name: (NE)-N-(1-phenyl-6-propoxy-4-pyridazinylidene)carbamothioic acid S-heptyl ester IUPAC Name: S-heptyl (NE)-N-(1-phenyl-6-propoxypyridazin-4-ylidene)carbamothioate Traditional Name: (NE)-N-(1-phenyl-6-propoxy-pyridazin-4-ylidene)thiocarbamic acid S-heptyl ester Formula: C21H29N3O2S MolecularWeight: 387.53886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSC(=O)N=C1C=C(N(N=C1)C2=CC=CC=C2)OCCC

Isomeric SMILES

CCCCCCCSC(=O)/N=C/1\C=C(N(N=C1)C2=CC=CC=C2)OCCC

InChI

InChI=1S/C21H29N3O2S/c1-3-5-6-7-11-15-27-21(25)23-18-16-20(26-14-4-2)24(22-17-18)19-12-9-8-10-13-19/h8-10,12-13,16-17H,3-7,11,14-15H2,1-2H3/b23-18+