N-[2-(benzotriazol-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-3-(2-methyl-4-nitro-imidazol-1-yl)propanamide

Systemtic Name: N-[2-(benzotriazol-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-3-(2-methyl-4-nitro-imidazol-1-yl)propanamide Openeye Name: N-[2-(benzotriazol-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-3-(2-methyl-4-nitro-imidazol-1-yl)propanamide CAS Name: N-[2-(1-benzotriazolylmethylthio)-1,3-benzothiazol-6-yl]-3-(2-methyl-4-nitro-1-imidazolyl)propanamide IUPAC Name: N-[2-(benzotriazol-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-3-(2-methyl-4-nitroimidazol-1-yl)propanamide Traditional Name: N-[2-(benzotriazol-1-ylmethylthio)-1,3-benzothiazol-6-yl]-3-(2-methyl-4-nitro-imidazol-1-yl)propionamide Formula: C21H18N8O3S2 MolecularWeight: 494.54942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CN1CCC(=O)NC2=CC3=C(C=C2)N=C(S3)SCN4C5=CC=CC=C5N=N4)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=CN1CCC(=O)NC2=CC3=C(C=C2)N=C(S3)SCN4C5=CC=CC=C5N=N4)[N+](=O)[O-]

InChI

InChI=1S/C21H18N8O3S2/c1-13-22-19(29(31)32)11-27(13)9-8-20(30)23-14-6-7-16-18(10-14)34-21(24-16)33-12-28-17-5-3-2-4-15(17)25-26-28/h2-7,10-11H,8-9,12H2,1H3,(H,23,30)