N-(3-bromophenyl)-3-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide

Systemtic Name: N-(3-bromophenyl)-3-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide Openeye Name: N-(3-bromophenyl)-3-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: N-(3-bromophenyl)-3-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide IUPAC Name: N-(3-bromophenyl)-3-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide Traditional Name: N-(3-bromophenyl)-3-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propionamide Formula: C18H17BrN4O2S MolecularWeight: 433.32218

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)NC3=CC(=CC=C3)Br

Isomeric SMILES

COC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)NC3=CC(=CC=C3)Br

InChI

InChI=1S/C18H17BrN4O2S/c1-25-15-7-5-12(6-8-15)17-21-22-18(26)23(17)10-9-16(24)20-14-4-2-3-13(19)11-14/h2-8,11H,9-10H2,1H3,(H,20,24)(H,22,26)