(Z,4Z)-2-benzamido-4-(2-ethanoyl-3-ethylsulfanyl-6-methyl-1,2,4-triazin-5-ylidene)but-2-enoic acid

Systemtic Name: (Z,4Z)-2-benzamido-4-(2-ethanoyl-3-ethylsulfanyl-6-methyl-1,2,4-triazin-5-ylidene)but-2-enoic acid Openeye Name: (Z,4Z)-4-(2-acetyl-3-ethylsulfanyl-6-methyl-1,2,4-triazin-5-ylidene)-2-benzamido-but-2-enoic acid CAS Name: (Z,4Z)-4-[2-acetyl-3-(ethylthio)-6-methyl-1,2,4-triazin-5-ylidene]-2-benzamido-2-butenoic acid IUPAC Name: (Z,4Z)-4-(2-acetyl-3-ethylsulfanyl-6-methyl-1,2,4-triazin-5-ylidene)-2-benzamidobut-2-enoic acid Traditional Name: (Z,4Z)-4-[2-acetyl-3-(ethylthio)-6-methyl-1,2,4-triazin-5-ylidene]-2-benzamido-but-2-enoic acid Formula: C19H20N4O4S MolecularWeight: 400.4515

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC(=CC=C(C(=O)O)NC(=O)C2=CC=CC=C2)C(=NN1C(=O)C)C

Isomeric SMILES

CCSC1=N/C(=C\C=C(\C(=O)O)/NC(=O)C2=CC=CC=C2)/C(=NN1C(=O)C)C

InChI

InChI=1S/C19H20N4O4S/c1-4-28-19-21-15(12(2)22-23(19)13(3)24)10-11-16(18(26)27)20-17(25)14-8-6-5-7-9-14/h5-11H,4H2,1-3H3,(H,20,25)(H,26,27)/b15-10-,16-11-