prop-2-enyl (4S,5R)-4-[3-(4-ethoxyphenyl)-1-phenyl-pyrazol-4-yl]-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: prop-2-enyl (4S,5R)-4-[3-(4-ethoxyphenyl)-1-phenyl-pyrazol-4-yl]-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Openeye Name: allyl (4S,5R)-4-[3-(4-ethoxyphenyl)-1-phenyl-pyrazol-4-yl]-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylate CAS Name: (4S,5R)-4-[3-(4-ethoxyphenyl)-1-phenyl-4-pyrazolyl]-6-methylene-2-sulfanylidene-1,3-diazinane-5-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (4S,5R)-4-[3-(4-ethoxyphenyl)-1-phenylpyrazol-4-yl]-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Traditional Name: (5R,6S)-4-methylene-6-(1-phenyl-3-p-phenetyl-pyrazol-4-yl)-2-thioxo-hexahydropyrimidine-5-carboxylic acid allyl ester Formula: C26H26N4O3S MolecularWeight: 474.57464

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NN(C=C2C3C(C(=C)NC(=S)N3)C(=O)OCC=C)C4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NN(C=C2[C@@H]3[C@H](C(=C)NC(=S)N3)C(=O)OCC=C)C4=CC=CC=C4

InChI

InChI=1S/C26H26N4O3S/c1-4-15-33-25(31)22-17(3)27-26(34)28-24(22)21-16-30(19-9-7-6-8-10-19)29-23(21)18-11-13-20(14-12-18)32-5-2/h4,6-14,16,22,24H,1,3,5,15H2,2H3,(H2,27,28,34)/t22-,24+/m0/s1