methyl (Z,4Z)-2-benzamido-4-(3-ethylsulfanyl-6-methyl-2H-1,2,4-triazin-5-ylidene)but-2-enoate

Systemtic Name: methyl (Z,4Z)-2-benzamido-4-(3-ethylsulfanyl-6-methyl-2H-1,2,4-triazin-5-ylidene)but-2-enoate Openeye Name: methyl (Z,4Z)-2-benzamido-4-(3-ethylsulfanyl-6-methyl-2H-1,2,4-triazin-5-ylidene)but-2-enoate CAS Name: (Z,4Z)-2-benzamido-4-[3-(ethylthio)-6-methyl-2H-1,2,4-triazin-5-ylidene]-2-butenoic acid methyl ester IUPAC Name: methyl (Z,4Z)-2-benzamido-4-(3-ethylsulfanyl-6-methyl-2H-1,2,4-triazin-5-ylidene)but-2-enoate Traditional Name: (Z,4Z)-2-benzamido-4-[3-(ethylthio)-6-methyl-2H-1,2,4-triazin-5-ylidene]but-2-enoic acid methyl ester Formula: C18H20N4O3S MolecularWeight: 372.4414

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC(=CC=C(C(=O)OC)NC(=O)C2=CC=CC=C2)C(=NN1)C

Isomeric SMILES

CCSC1=N/C(=C\C=C(\C(=O)OC)/NC(=O)C2=CC=CC=C2)/C(=NN1)C

InChI

InChI=1S/C18H20N4O3S/c1-4-26-18-20-14(12(2)21-22-18)10-11-15(17(24)25-3)19-16(23)13-8-6-5-7-9-13/h5-11H,4H2,1-3H3,(H,19,23)(H,20,22)/b14-10-,15-11-