4-(1,3-benzothiazol-2-ylsulfanyl)-3,5-dinitro-benzenecarbonitrile

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-3,5-dinitro-benzenecarbonitrile Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-3,5-dinitro-benzonitrile CAS Name: 4-(1,3-benzothiazol-2-ylthio)-3,5-dinitrobenzonitrile IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-3,5-dinitrobenzonitrile Traditional Name: 4-(1,3-benzothiazol-2-ylthio)-3,5-dinitro-benzonitrile Formula: C14H6N4O4S2 MolecularWeight: 358.35184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SC3=C(C=C(C=C3[N+](=O)[O-])C#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SC3=C(C=C(C=C3[N+](=O)[O-])C#N)[N+](=O)[O-]

InChI

InChI=1S/C14H6N4O4S2/c15-7-8-5-10(17(19)20)13(11(6-8)18(21)22)24-14-16-9-3-1-2-4-12(9)23-14/h1-6H