5-phenyl-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-phenyl-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-phenyl-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-phenyl-2-[[(1-phenyl-5-tetrazolyl)thio]methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5-phenyl-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-phenyl-2-[[(1-phenyltetrazol-5-yl)thio]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C20H14N6OS2 MolecularWeight: 418.49476

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)CSC4=NN=NN4C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)CSC4=NN=NN4C5=CC=CC=C5

InChI

InChI=1S/C20H14N6OS2/c27-18-17-15(13-7-3-1-4-8-13)11-28-19(17)22-16(21-18)12-29-20-23-24-25-26(20)14-9-5-2-6-10-14/h1-11H,12H2,(H,21,22,27)