N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Openeye Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide CAS Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Formula: C22H14N6O3S MolecularWeight: 442.44996

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=CC(=CC=C3)NC(=O)C4=CC(=C(C=C4)N5C=NC=N5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=CC(=CC=C3)NC(=O)C4=CC(=C(C=C4)N5C=NC=N5)[N+](=O)[O-]

InChI

InChI=1S/C22H14N6O3S/c29-21(14-8-9-18(19(11-14)28(30)31)27-13-23-12-24-27)25-16-5-3-4-15(10-16)22-26-17-6-1-2-7-20(17)32-22/h1-13H,(H,25,29)