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

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enenitrile Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-[5-(3-nitrophenyl)-2-furyl]prop-2-enenitrile CAS Name: 2-(1,3-benzothiazol-2-ylthio)-3-[5-(3-nitrophenyl)-2-furanyl]-2-propenenitrile IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enenitrile Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-3-[5-(3-nitrophenyl)-2-furyl]acrylonitrile Formula: C20H11N3O3S2 MolecularWeight: 405.44964

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SC(=CC3=CC=C(O3)C4=CC(=CC=C4)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SC(=CC3=CC=C(O3)C4=CC(=CC=C4)[N+](=O)[O-])C#N

InChI

InChI=1S/C20H11N3O3S2/c21-12-16(27-20-22-17-6-1-2-7-19(17)28-20)11-15-8-9-18(26-15)13-4-3-5-14(10-13)23(24)25/h1-11H