2-[2-methyl-5-nitro-3-(phenylmethyl)imidazol-4-yl]sulfanyl-5-(phenylmethylsulfanyl)-1,3,4-thiadiazole

Systemtic Name: 2-[2-methyl-5-nitro-3-(phenylmethyl)imidazol-4-yl]sulfanyl-5-(phenylmethylsulfanyl)-1,3,4-thiadiazole Openeye Name: 2-(3-benzyl-2-methyl-5-nitro-imidazol-4-yl)sulfanyl-5-benzylsulfanyl-1,3,4-thiadiazole CAS Name: 2-[[2-methyl-5-nitro-3-(phenylmethyl)-4-imidazolyl]thio]-5-(phenylmethylthio)-1,3,4-thiadiazole IUPAC Name: 2-(3-benzyl-2-methyl-5-nitroimidazol-4-yl)sulfanyl-5-benzylsulfanyl-1,3,4-thiadiazole Traditional Name: 2-[(3-benzyl-2-methyl-5-nitro-imidazol-4-yl)thio]-5-(benzylthio)-1,3,4-thiadiazole Formula: C20H17N5O2S3 MolecularWeight: 455.57628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(N1CC2=CC=CC=C2)SC3=NN=C(S3)SCC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=C(N1CC2=CC=CC=C2)SC3=NN=C(S3)SCC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H17N5O2S3/c1-14-21-17(25(26)27)18(24(14)12-15-8-4-2-5-9-15)29-20-23-22-19(30-20)28-13-16-10-6-3-7-11-16/h2-11H,12-13H2,1H3