N-[3-[(4-propan-2-ylphenoxy)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]pyrazine-2-carboxamide

Systemtic Name: N-[3-[(4-propan-2-ylphenoxy)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]pyrazine-2-carboxamide Openeye Name: N-[3-[(4-isopropylphenoxy)methyl]-5-thioxo-1H-1,2,4-triazol-4-yl]pyrazine-2-carboxamide CAS Name: N-[3-[(4-propan-2-ylphenoxy)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-2-pyrazinecarboxamide IUPAC Name: N-[3-[(4-propan-2-ylphenoxy)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]pyrazine-2-carboxamide Traditional Name: N-[3-[(4-isopropylphenoxy)methyl]-5-thioxo-1H-1,2,4-triazol-4-yl]pyrazinamide Formula: C17H18N6O2S MolecularWeight: 370.42882

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)OCC2=NNC(=S)N2NC(=O)C3=NC=CN=C3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)OCC2=NNC(=S)N2NC(=O)C3=NC=CN=C3

InChI

InChI=1S/C17H18N6O2S/c1-11(2)12-3-5-13(6-4-12)25-10-15-20-21-17(26)23(15)22-16(24)14-9-18-7-8-19-14/h3-9,11H,10H2,1-2H3,(H,21,26)(H,22,24)