2-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(3-phenylmethoxypropyl)ethanamide

Systemtic Name: 2-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(3-phenylmethoxypropyl)ethanamide Openeye Name: N-(3-benzyloxypropyl)-2-[3-(4-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide CAS Name: 2-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(3-phenylmethoxypropyl)acetamide IUPAC Name: 2-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(3-phenylmethoxypropyl)acetamide Traditional Name: N-(3-benzoxypropyl)-2-[3-(4-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide Formula: C20H21ClN4O2S MolecularWeight: 416.92434

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCCCNC(=O)CN2C(=NNC2=S)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)COCCCNC(=O)CN2C(=NNC2=S)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H21ClN4O2S/c21-17-9-7-16(8-10-17)19-23-24-20(28)25(19)13-18(26)22-11-4-12-27-14-15-5-2-1-3-6-15/h1-3,5-10H,4,11-14H2,(H,22,26)(H,24,28)