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

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-[5-(2-methyl-5-nitro-phenyl)furan-2-yl]prop-2-enenitrile Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-[5-(2-methyl-5-nitro-phenyl)-2-furyl]prop-2-enenitrile CAS Name: 2-(1,3-benzothiazol-2-ylthio)-3-[5-(2-methyl-5-nitrophenyl)-2-furanyl]-2-propenenitrile IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-[5-(2-methyl-5-nitrophenyl)furan-2-yl]prop-2-enenitrile Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-3-[5-(2-methyl-5-nitro-phenyl)-2-furyl]acrylonitrile Formula: C21H13N3O3S2 MolecularWeight: 419.47622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])C2=CC=C(O2)C=C(C#N)SC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])C2=CC=C(O2)C=C(C#N)SC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H13N3O3S2/c1-13-6-7-14(24(25)26)10-17(13)19-9-8-15(27-19)11-16(12-22)28-21-23-18-4-2-3-5-20(18)29-21/h2-11H,1H3