3-[[2-(diphenylmethyl)-5-nitro-1,2,4-triazol-3-yl]sulfanyl]-1H-1,2,4-triazol-5-amine

Systemtic Name: 3-[[2-(diphenylmethyl)-5-nitro-1,2,4-triazol-3-yl]sulfanyl]-1H-1,2,4-triazol-5-amine Openeye Name: 3-[(2-benzhydryl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]-1H-1,2,4-triazol-5-amine CAS Name: 3-[[2-(diphenylmethyl)-5-nitro-1,2,4-triazol-3-yl]thio]-1H-1,2,4-triazol-5-amine IUPAC Name: 3-[(2-benzhydryl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]-1H-1,2,4-triazol-5-amine Traditional Name: [3-[(2-benzhydryl-5-nitro-1,2,4-triazol-3-yl)thio]-1H-1,2,4-triazol-5-yl]amine Formula: C17H14N8O2S MolecularWeight: 394.41046

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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=NNC(=N4)N

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)N3C(=NC(=N3)[N+](=O)[O-])SC4=NNC(=N4)N

InChI

InChI=1S/C17H14N8O2S/c18-14-19-16(22-21-14)28-17-20-15(25(26)27)23-24(17)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,(H3,18,19,21,22)