3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(3-pyrazin-2-yloxyphenyl)propanamide

Systemtic Name: 3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(3-pyrazin-2-yloxyphenyl)propanamide Openeye Name: 3-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-(3-pyrazin-2-yloxyphenyl)propanamide CAS Name: 3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[3-(2-pyrazinyloxy)phenyl]propanamide IUPAC Name: 3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(3-pyrazin-2-yloxyphenyl)propanamide Traditional Name: 3-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-(3-pyrazin-2-yloxyphenyl)propionamide Formula: C22H20N6O2S MolecularWeight: 432.4982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NNC(=S)N2CCC(=O)NC3=CC(=CC=C3)OC4=NC=CN=C4

Isomeric SMILES

CC1=CC=CC(=C1)C2=NNC(=S)N2CCC(=O)NC3=CC(=CC=C3)OC4=NC=CN=C4

InChI

InChI=1S/C22H20N6O2S/c1-15-4-2-5-16(12-15)21-26-27-22(31)28(21)11-8-19(29)25-17-6-3-7-18(13-17)30-20-14-23-9-10-24-20/h2-7,9-10,12-14H,8,11H2,1H3,(H,25,29)(H,27,31)