N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethanamide

Systemtic Name: N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethanamide Openeye Name: N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide CAS Name: N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetamide IUPAC Name: N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetamide Traditional Name: N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide Formula: C21H19N5O3S MolecularWeight: 421.47226

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NNC(=S)N2CC(=O)NC3=CC4=C(C=C3)OC(=N4)C5CC5

Isomeric SMILES

COC1=CC=C(C=C1)C2=NNC(=S)N2CC(=O)NC3=CC4=C(C=C3)OC(=N4)C5CC5

InChI

InChI=1S/C21H19N5O3S/c1-28-15-7-4-12(5-8-15)19-24-25-21(30)26(19)11-18(27)22-14-6-9-17-16(10-14)23-20(29-17)13-2-3-13/h4-10,13H,2-3,11H2,1H3,(H,22,27)(H,25,30)