3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)propanamide

Systemtic Name: 3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)propanamide Openeye Name: 3-[3-(4-ethoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-(2-isopropyl-1,3-benzoxazol-5-yl)propanamide CAS Name: 3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)propanamide IUPAC Name: 3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)propanamide Traditional Name: N-(2-isopropyl-1,3-benzoxazol-5-yl)-3-(3-p-phenetyl-5-thioxo-1H-1,2,4-triazol-4-yl)propionamide Formula: C23H25N5O3S MolecularWeight: 451.5413

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)NC3=CC4=C(C=C3)OC(=N4)C(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)NC3=CC4=C(C=C3)OC(=N4)C(C)C

InChI

InChI=1S/C23H25N5O3S/c1-4-30-17-8-5-15(6-9-17)21-26-27-23(32)28(21)12-11-20(29)24-16-7-10-19-18(13-16)25-22(31-19)14(2)3/h5-10,13-14H,4,11-12H2,1-3H3,(H,24,29)(H,27,32)