2-(1,3-benzothiazol-2-ylsulfanyl)-3-[5-(4-methoxy-2-nitro-phenyl)furan-2-yl]prop-2-enenitrile

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-[5-(4-methoxy-2-nitro-phenyl)furan-2-yl]prop-2-enenitrile Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-[5-(4-methoxy-2-nitro-phenyl)-2-furyl]prop-2-enenitrile CAS Name: 2-(1,3-benzothiazol-2-ylthio)-3-[5-(4-methoxy-2-nitrophenyl)-2-furanyl]-2-propenenitrile IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]prop-2-enenitrile Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-3-[5-(4-methoxy-2-nitro-phenyl)-2-furyl]acrylonitrile Formula: C21H13N3O4S2 MolecularWeight: 435.47562

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=CC=C(O2)C=C(C#N)SC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)C2=CC=C(O2)C=C(C#N)SC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

InChI=1S/C21H13N3O4S2/c1-27-13-6-8-16(18(11-13)24(25)26)19-9-7-14(28-19)10-15(12-22)29-21-23-17-4-2-3-5-20(17)30-21/h2-11H,1H3