[4-(4-cyanophenyl)phenyl] 2-(5-oxidanylidene-4-thiophen-2-yl-1,2,3,4-tetrazol-1-yl)ethanoate

Systemtic Name: [4-(4-cyanophenyl)phenyl] 2-(5-oxidanylidene-4-thiophen-2-yl-1,2,3,4-tetrazol-1-yl)ethanoate Openeye Name: [4-(4-cyanophenyl)phenyl] 2-[5-oxo-4-(2-thienyl)tetrazol-1-yl]acetate CAS Name: 2-(5-oxo-4-thiophen-2-yl-1-tetrazolyl)acetic acid [4-(4-cyanophenyl)phenyl] ester IUPAC Name: [4-(4-cyanophenyl)phenyl] 2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetate Traditional Name: 2-[5-keto-4-(2-thienyl)tetrazol-1-yl]acetic acid [4-(4-cyanophenyl)phenyl] ester Formula: C20H13N5O3S MolecularWeight: 403.41392

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)N2C(=O)N(N=N2)CC(=O)OC3=CC=C(C=C3)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1=CSC(=C1)N2C(=O)N(N=N2)CC(=O)OC3=CC=C(C=C3)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C20H13N5O3S/c21-12-14-3-5-15(6-4-14)16-7-9-17(10-8-16)28-19(26)13-24-20(27)25(23-22-24)18-2-1-11-29-18/h1-11H,13H2