N-(4-morpholin-4-ylcarbonylphenyl)-2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(4-morpholin-4-ylcarbonylphenyl)-2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(morpholine-4-carbonyl)phenyl]acetamide CAS Name: N-[4-[4-morpholinyl(oxo)methyl]phenyl]-2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-[4-(morpholine-4-carbonyl)phenyl]-2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-N-[4-(morpholine-4-carbonyl)phenyl]acetamide Formula: C22H23N5O3S2 MolecularWeight: 469.57972

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)N3CCOCC3)C4=CC=CS4

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)N3CCOCC3)C4=CC=CS4

InChI

InChI=1S/C22H23N5O3S2/c1-2-9-27-20(18-4-3-14-31-18)24-25-22(27)32-15-19(28)23-17-7-5-16(6-8-17)21(29)26-10-12-30-13-11-26/h2-8,14H,1,9-13,15H2,(H,23,28)