4-[3-[4-(1,2,4-triazol-4-yl)phenyl]thiophen-2-yl]oxane-4-carbonitrile

Systemtic Name: 4-[3-[4-(1,2,4-triazol-4-yl)phenyl]thiophen-2-yl]oxane-4-carbonitrile Openeye Name: 4-[3-[4-(1,2,4-triazol-4-yl)phenyl]-2-thienyl]tetrahydropyran-4-carbonitrile CAS Name: 4-[3-[4-(1,2,4-triazol-4-yl)phenyl]-2-thiophenyl]-4-oxanecarbonitrile IUPAC Name: 4-[3-[4-(1,2,4-triazol-4-yl)phenyl]thiophen-2-yl]oxane-4-carbonitrile Traditional Name: 4-[3-[4-(1,2,4-triazol-4-yl)phenyl]-2-thienyl]tetrahydropyran-4-carbonitrile Formula: C18H16N4OS MolecularWeight: 336.41084

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1(C#N)C2=C(C=CS2)C3=CC=C(C=C3)N4C=NN=C4

Isomeric SMILES

C1COCCC1(C#N)C2=C(C=CS2)C3=CC=C(C=C3)N4C=NN=C4

InChI

InChI=1S/C18H16N4OS/c19-11-18(6-8-23-9-7-18)17-16(5-10-24-17)14-1-3-15(4-2-14)22-12-20-21-13-22/h1-5,10,12-13H,6-9H2