2-[[5-(4,5-dimethyl-2-nitro-phenyl)furan-2-yl]methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

Systemtic Name: 2-[[5-(4,5-dimethyl-2-nitro-phenyl)furan-2-yl]methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Openeye Name: 2-[[5-(4,5-dimethyl-2-nitro-phenyl)-2-furyl]methyleneamino]-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile CAS Name: 2-[[5-(4,5-dimethyl-2-nitrophenyl)-2-furanyl]methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile IUPAC Name: 2-[[5-(4,5-dimethyl-2-nitrophenyl)furan-2-yl]methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Traditional Name: 2-[[5-(4,5-dimethyl-2-nitro-phenyl)-2-furyl]methyleneamino]-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile Formula: C22H19N3O3S MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)C2=CC=C(O2)C=NC3=C(C4=C(S3)CCCC4)C#N)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C(=C1)C2=CC=C(O2)C=NC3=C(C4=C(S3)CCCC4)C#N)[N+](=O)[O-])C

InChI

InChI=1S/C22H19N3O3S/c1-13-9-17(19(25(26)27)10-14(13)2)20-8-7-15(28-20)12-24-22-18(11-23)16-5-3-4-6-21(16)29-22/h7-10,12H,3-6H2,1-2H3