2-[4-[3-nitro-4-(1,2,4-triazol-1-yl)phenyl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[3-nitro-4-(1,2,4-triazol-1-yl)phenyl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[3-nitro-4-(1,2,4-triazol-1-yl)benzoyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[[3-nitro-4-(1,2,4-triazol-1-yl)phenyl]-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[3-nitro-4-(1,2,4-triazol-1-yl)benzoyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[3-nitro-4-(1,2,4-triazol-1-yl)benzoyl]piperazino]sulfonylbenzonitrile Formula: C20H17N7O5S MolecularWeight: 467.45788

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-])S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-])S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C20H17N7O5S/c21-12-16-3-1-2-4-19(16)33(31,32)25-9-7-24(8-10-25)20(28)15-5-6-17(18(11-15)27(29)30)26-14-22-13-23-26/h1-6,11,13-14H,7-10H2