2-azanyl-6-[1,3-bis(oxidanylidene)inden-2-yl]-7-phenyl-4-thiophen-2-yl-oxepine-3-carbonitrile

Systemtic Name: 2-azanyl-6-[1,3-bis(oxidanylidene)inden-2-yl]-7-phenyl-4-thiophen-2-yl-oxepine-3-carbonitrile Openeye Name: 2-amino-6-(1,3-dioxoindan-2-yl)-7-phenyl-4-(2-thienyl)oxepine-3-carbonitrile CAS Name: 2-amino-6-(1,3-dioxo-2-indenyl)-7-phenyl-4-thiophen-2-yl-3-oxepincarbonitrile IUPAC Name: 2-amino-6-(1,3-dioxoinden-2-yl)-7-phenyl-4-thiophen-2-yloxepine-3-carbonitrile Traditional Name: 2-amino-6-(1,3-diketoindan-2-yl)-7-phenyl-4-(2-thienyl)oxepin-3-carbonitrile Formula: C26H16N2O3S MolecularWeight: 436.48184

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C=C(C(=C(O2)N)C#N)C3=CC=CS3)C4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C=C(C(=C(O2)N)C#N)C3=CC=CS3)C4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C26H16N2O3S/c27-14-20-18(21-11-6-12-32-21)13-19(25(31-26(20)28)15-7-2-1-3-8-15)22-23(29)16-9-4-5-10-17(16)24(22)30/h1-13,22H,28H2