2-(1,3-benzothiazol-2-ylsulfanyl)-3-[4-(2,4-dinitrophenoxy)phenyl]prop-2-enenitrile

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-[4-(2,4-dinitrophenoxy)phenyl]prop-2-enenitrile Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-[4-(2,4-dinitrophenoxy)phenyl]prop-2-enenitrile CAS Name: 2-(1,3-benzothiazol-2-ylthio)-3-[4-(2,4-dinitrophenoxy)phenyl]-2-propenenitrile IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-[4-(2,4-dinitrophenoxy)phenyl]prop-2-enenitrile Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-3-[4-(2,4-dinitrophenoxy)phenyl]acrylonitrile Formula: C22H12N4O5S2 MolecularWeight: 476.48448

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SC(=CC3=CC=C(C=C3)OC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SC(=CC3=CC=C(C=C3)OC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-])C#N

InChI

InChI=1S/C22H12N4O5S2/c23-13-17(32-22-24-18-3-1-2-4-21(18)33-22)11-14-5-8-16(9-6-14)31-20-10-7-15(25(27)28)12-19(20)26(29)30/h1-12H