1-(6-nitro-1,3-benzothiazol-2-yl)-3-[2-(1,2,4-triazol-1-yl)ethyl]urea

Systemtic Name: 1-(6-nitro-1,3-benzothiazol-2-yl)-3-[2-(1,2,4-triazol-1-yl)ethyl]urea Openeye Name: 1-(6-nitro-1,3-benzothiazol-2-yl)-3-[2-(1,2,4-triazol-1-yl)ethyl]urea CAS Name: 1-(6-nitro-1,3-benzothiazol-2-yl)-3-[2-(1,2,4-triazol-1-yl)ethyl]urea IUPAC Name: 1-(6-nitro-1,3-benzothiazol-2-yl)-3-[2-(1,2,4-triazol-1-yl)ethyl]urea Traditional Name: 1-(6-nitro-1,3-benzothiazol-2-yl)-3-[2-(1,2,4-triazol-1-yl)ethyl]urea Formula: C12H11N7O3S MolecularWeight: 333.32584

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])SC(=N2)NC(=O)NCCN3C=NC=N3

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])SC(=N2)NC(=O)NCCN3C=NC=N3

InChI

InChI=1S/C12H11N7O3S/c20-11(14-3-4-18-7-13-6-15-18)17-12-16-9-2-1-8(19(21)22)5-10(9)23-12/h1-2,5-7H,3-4H2,(H2,14,16,17,20)