N-[(E)-[2-(1,3-benzoxazol-2-ylsulfanyl)cyclohexen-1-yl]methylideneamino]-4-nitro-aniline

Systemtic Name: N-[(E)-[2-(1,3-benzoxazol-2-ylsulfanyl)cyclohexen-1-yl]methylideneamino]-4-nitro-aniline Openeye Name: N-[(E)-[2-(1,3-benzoxazol-2-ylsulfanyl)cyclohexen-1-yl]methyleneamino]-4-nitro-aniline CAS Name: N-[(E)-[2-(1,3-benzoxazol-2-ylthio)-1-cyclohexenyl]methylideneamino]-4-nitroaniline IUPAC Name: N-[(E)-[2-(1,3-benzoxazol-2-ylsulfanyl)cyclohexen-1-yl]methylideneamino]-4-nitroaniline Traditional Name: [(E)-[2-(1,3-benzoxazol-2-ylthio)cyclohexen-1-yl]methyleneamino]-(4-nitrophenyl)amine Formula: C20H18N4O3S MolecularWeight: 394.44692

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=C(C1)C=NNC2=CC=C(C=C2)[N+](=O)[O-])SC3=NC4=CC=CC=C4O3

Isomeric SMILES

C1CCC(=C(C1)/C=N/NC2=CC=C(C=C2)[N+](=O)[O-])SC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C20H18N4O3S/c25-24(26)16-11-9-15(10-12-16)23-21-13-14-5-1-4-8-19(14)28-20-22-17-6-2-3-7-18(17)27-20/h2-3,6-7,9-13,23H,1,4-5,8H2/b21-13+