1-(diphenylmethyl)-3-nitro-5-phenylsulfanyl-1,2,4-triazole

Systemtic Name: 1-(diphenylmethyl)-3-nitro-5-phenylsulfanyl-1,2,4-triazole Openeye Name: 1-benzhydryl-3-nitro-5-phenylsulfanyl-1,2,4-triazole CAS Name: 1-(diphenylmethyl)-3-nitro-5-(phenylthio)-1,2,4-triazole IUPAC Name: 1-benzhydryl-3-nitro-5-phenylsulfanyl-1,2,4-triazole Traditional Name: 1-benzhydryl-3-nitro-5-(phenylthio)-1,2,4-triazole Formula: C21H16N4O2S MolecularWeight: 388.44234

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)N3C(=NC(=N3)[N+](=O)[O-])SC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)N3C(=NC(=N3)[N+](=O)[O-])SC4=CC=CC=C4

InChI

InChI=1S/C21H16N4O2S/c26-25(27)20-22-21(28-18-14-8-3-9-15-18)24(23-20)19(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-15,19H