2-azanyl-4-(3-phenylmethoxyphenyl)-4H-[1]benzothiolo[3,2-b]pyran-3-carbonitrile

Systemtic Name: 2-azanyl-4-(3-phenylmethoxyphenyl)-4H-[1]benzothiolo[3,2-b]pyran-3-carbonitrile Openeye Name: 2-amino-4-(3-benzyloxyphenyl)-4H-benzothiopheno[3,2-b]pyran-3-carbonitrile CAS Name: 2-amino-4-(3-phenylmethoxyphenyl)-4H-[1]benzothiolo[3,2-b]pyran-3-carbonitrile IUPAC Name: 2-amino-4-(3-phenylmethoxyphenyl)-4H-[1]benzothiolo[3,2-b]pyran-3-carbonitrile Traditional Name: 2-amino-4-(3-benzoxyphenyl)-4H-benzothiopheno[3,2-b]pyran-3-carbonitrile Formula: C25H18N2O2S MolecularWeight: 410.48762

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=CC(=C2)C3C(=C(OC4=C3SC5=CC=CC=C54)N)C#N

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=CC(=C2)C3C(=C(OC4=C3SC5=CC=CC=C54)N)C#N

InChI

InChI=1S/C25H18N2O2S/c26-14-20-22(24-23(29-25(20)27)19-11-4-5-12-21(19)30-24)17-9-6-10-18(13-17)28-15-16-7-2-1-3-8-16/h1-13,22H,15,27H2