4-[3-[4-(1,2,4-triazol-4-yl)phenyl]sulfanylphenyl]oxane-4-carboxamide

Systemtic Name: 4-[3-[4-(1,2,4-triazol-4-yl)phenyl]sulfanylphenyl]oxane-4-carboxamide Openeye Name: 4-[3-[4-(1,2,4-triazol-4-yl)phenyl]sulfanylphenyl]tetrahydropyran-4-carboxamide CAS Name: 4-[3-[[4-(1,2,4-triazol-4-yl)phenyl]thio]phenyl]-4-oxanecarboxamide IUPAC Name: 4-[3-[4-(1,2,4-triazol-4-yl)phenyl]sulfanylphenyl]oxane-4-carboxamide Traditional Name: 4-[3-[[4-(1,2,4-triazol-4-yl)phenyl]thio]phenyl]tetrahydropyran-4-carboxamide Formula: C20H20N4O2S MolecularWeight: 380.4634

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1(C2=CC(=CC=C2)SC3=CC=C(C=C3)N4C=NN=C4)C(=O)N

Isomeric SMILES

C1COCCC1(C2=CC(=CC=C2)SC3=CC=C(C=C3)N4C=NN=C4)C(=O)N

InChI

InChI=1S/C20H20N4O2S/c21-19(25)20(8-10-26-11-9-20)15-2-1-3-18(12-15)27-17-6-4-16(5-7-17)24-13-22-23-14-24/h1-7,12-14H,8-11H2,(H2,21,25)