N-[(Z,4Z)-4-(3-ethylsulfanyl-6-methyl-2H-1,2,4-triazin-5-ylidene)-1-morpholin-4-yl-1-oxidanylidene-but-2-en-2-yl]benzamide

Systemtic Name: N-[(Z,4Z)-4-(3-ethylsulfanyl-6-methyl-2H-1,2,4-triazin-5-ylidene)-1-morpholin-4-yl-1-oxidanylidene-but-2-en-2-yl]benzamide Openeye Name: N-[(Z,3Z)-3-(3-ethylsulfanyl-6-methyl-2H-1,2,4-triazin-5-ylidene)-1-(morpholine-4-carbonyl)prop-1-enyl]benzamide CAS Name: N-[(Z,4Z)-4-[3-(ethylthio)-6-methyl-2H-1,2,4-triazin-5-ylidene]-1-(4-morpholinyl)-1-oxobut-2-en-2-yl]benzamide IUPAC Name: N-[(Z,4Z)-4-(3-ethylsulfanyl-6-methyl-2H-1,2,4-triazin-5-ylidene)-1-morpholin-4-yl-1-oxobut-2-en-2-yl]benzamide Traditional Name: N-[(Z,3Z)-3-[3-(ethylthio)-6-methyl-2H-1,2,4-triazin-5-ylidene]-1-(morpholine-4-carbonyl)prop-1-enyl]benzamide Formula: C21H25N5O3S MolecularWeight: 427.5199

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC(=CC=C(C(=O)N2CCOCC2)NC(=O)C3=CC=CC=C3)C(=NN1)C

Isomeric SMILES

CCSC1=N/C(=C\C=C(\C(=O)N2CCOCC2)/NC(=O)C3=CC=CC=C3)/C(=NN1)C

InChI

InChI=1S/C21H25N5O3S/c1-3-30-21-23-17(15(2)24-25-21)9-10-18(20(28)26-11-13-29-14-12-26)22-19(27)16-7-5-4-6-8-16/h4-10H,3,11-14H2,1-2H3,(H,22,27)(H,23,25)/b17-9-,18-10-