2-(1,3-benzothiazol-2-ylsulfanyl)-3-(4-methyl-3-nitro-phenyl)prop-2-enenitrile

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(4-methyl-3-nitro-phenyl)prop-2-enenitrile Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(4-methyl-3-nitro-phenyl)prop-2-enenitrile CAS Name: 2-(1,3-benzothiazol-2-ylthio)-3-(4-methyl-3-nitrophenyl)-2-propenenitrile IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(4-methyl-3-nitrophenyl)prop-2-enenitrile Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-3-(4-methyl-3-nitro-phenyl)acrylonitrile Formula: C17H11N3O2S2 MolecularWeight: 353.41814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C=C(C#N)SC2=NC3=CC=CC=C3S2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C=C(C#N)SC2=NC3=CC=CC=C3S2)[N+](=O)[O-]

InChI

InChI=1S/C17H11N3O2S2/c1-11-6-7-12(9-15(11)20(21)22)8-13(10-18)23-17-19-14-4-2-3-5-16(14)24-17/h2-9H,1H3