2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-5-morpholin-4-ylsulfonyl-phenyl)ethanamide

Systemtic Name: 2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-5-morpholin-4-ylsulfonyl-phenyl)ethanamide Openeye Name: 2-[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-5-morpholinosulfonyl-phenyl)acetamide CAS Name: 2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-N-[2-methoxy-5-(4-morpholinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide Traditional Name: 2-[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-(2-methoxy-5-morpholinosulfonyl-phenyl)acetamide Formula: C21H27N5O5S2 MolecularWeight: 493.59958

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CSC3=NN=C(N3CC=C)C4CC4

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CSC3=NN=C(N3CC=C)C4CC4

InChI

InChI=1S/C21H27N5O5S2/c1-3-8-26-20(15-4-5-15)23-24-21(26)32-14-19(27)22-17-13-16(6-7-18(17)30-2)33(28,29)25-9-11-31-12-10-25/h3,6-7,13,15H,1,4-5,8-12,14H2,2H3,(H,22,27)