N-[(5Z)-5-(2-methyl-1H-pyridin-4-ylidene)-6-oxidanylidene-cyclohexa-1,3-dien-1-yl]-13-sulfanyl-tridecanamide

Systemtic Name: N-[(5Z)-5-(2-methyl-1H-pyridin-4-ylidene)-6-oxidanylidene-cyclohexa-1,3-dien-1-yl]-13-sulfanyl-tridecanamide Openeye Name: N-[(5Z)-5-(2-methyl-1H-pyridin-4-ylidene)-6-oxo-cyclohexa-1,3-dien-1-yl]-13-sulfanyl-tridecanamide CAS Name: 13-mercapto-N-[(5Z)-5-(2-methyl-1H-pyridin-4-ylidene)-6-oxo-1-cyclohexa-1,3-dienyl]tridecanamide IUPAC Name: N-[(5Z)-5-(2-methyl-1H-pyridin-4-ylidene)-6-oxocyclohexa-1,3-dien-1-yl]-13-sulfanyltridecanamide Traditional Name: N-[(5Z)-6-keto-5-(2-methyl-1H-pyridin-4-ylidene)cyclohexa-1,3-dien-1-yl]-13-mercapto-tridecanamide Formula: C25H36N2O2S MolecularWeight: 428.63054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=CC=C(C2=O)NC(=O)CCCCCCCCCCCCS)C=CN1

Isomeric SMILES

CC1=C/C(=C\2/C=CC=C(C2=O)NC(=O)CCCCCCCCCCCCS)/C=CN1

InChI

InChI=1S/C25H36N2O2S/c1-20-19-21(16-17-26-20)22-13-12-14-23(25(22)29)27-24(28)15-10-8-6-4-2-3-5-7-9-11-18-30/h12-14,16-17,19,26,30H,2-11,15,18H2,1H3,(H,27,28)/b22-21-