4-chloranyl-N-[1-[(E)-[(cyanoamino)-(pyridin-3-ylamino)methylidene]amino]-3-methylsulfanyl-propyl]benzamide

Systemtic Name: 4-chloranyl-N-[1-[(E)-[(cyanoamino)-(pyridin-3-ylamino)methylidene]amino]-3-methylsulfanyl-propyl]benzamide Openeye Name: 4-chloro-N-[1-[(E)-[(cyanoamino)-(3-pyridylamino)methylene]amino]-3-methylsulfanyl-propyl]benzamide CAS Name: 4-chloro-N-[1-[(E)-[(cyanoamino)-(3-pyridinylamino)methylidene]amino]-3-(methylthio)propyl]benzamide IUPAC Name: 4-chloro-N-[1-[(E)-[(cyanoamino)-(pyridin-3-ylamino)methylidene]amino]-3-methylsulfanylpropyl]benzamide Traditional Name: 4-chloro-N-[1-[(E)-[(cyanoamino)-(3-pyridylamino)methylene]amino]-3-(methylthio)propyl]benzamide Formula: C18H19ClN6OS MolecularWeight: 402.90106

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(NC(=O)C1=CC=C(C=C1)Cl)N=C(NC#N)NC2=CN=CC=C2

Isomeric SMILES

CSCCC(NC(=O)C1=CC=C(C=C1)Cl)/N=C(/NC#N)\NC2=CN=CC=C2

InChI

InChI=1S/C18H19ClN6OS/c1-27-10-8-16(24-17(26)13-4-6-14(19)7-5-13)25-18(22-12-20)23-15-3-2-9-21-11-15/h2-7,9,11,16H,8,10H2,1H3,(H,24,26)(H2,22,23,25)