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

Systemtic Name: 2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]ethanamide Openeye Name: 2-[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-benzyloxy-3-methoxy-phenyl)methyl]acetamide CAS Name: 2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide IUPAC Name: 2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide Traditional Name: 2-[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-(4-benzoxy-3-methoxy-benzyl)acetamide Formula: C25H28N4O3S MolecularWeight: 464.57982

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CNC(=O)CSC2=NN=C(N2CC=C)C3CC3)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)CNC(=O)CSC2=NN=C(N2CC=C)C3CC3)OCC4=CC=CC=C4

InChI

InChI=1S/C25H28N4O3S/c1-3-13-29-24(20-10-11-20)27-28-25(29)33-17-23(30)26-15-19-9-12-21(22(14-19)31-2)32-16-18-7-5-4-6-8-18/h3-9,12,14,20H,1,10-11,13,15-17H2,2H3,(H,26,30)