2-(1,3-benzothiazol-2-yl)-3-[(2-ethoxyphenyl)amino]-3-[(4-nitrophenyl)methylsulfanyl]prop-2-enenitrile

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-3-[(2-ethoxyphenyl)amino]-3-[(4-nitrophenyl)methylsulfanyl]prop-2-enenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-3-(2-ethoxyanilino)-3-[(4-nitrophenyl)methylsulfanyl]prop-2-enenitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-3-(2-ethoxyanilino)-3-[(4-nitrophenyl)methylthio]-2-propenenitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-3-(2-ethoxyanilino)-3-[(4-nitrophenyl)methylsulfanyl]prop-2-enenitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-3-[(4-nitrobenzyl)thio]-3-(o-phenetidino)acrylonitrile Formula: C25H20N4O3S2 MolecularWeight: 488.5813

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=C(C#N)C2=NC3=CC=CC=C3S2)SCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=CC=C1NC(=C(C#N)C2=NC3=CC=CC=C3S2)SCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H20N4O3S2/c1-2-32-22-9-5-3-7-20(22)27-24(33-16-17-11-13-18(14-12-17)29(30)31)19(15-26)25-28-21-8-4-6-10-23(21)34-25/h3-14,27H,2,16H2,1H3