2-[(E)-[2-(1H-benzimidazol-2-ylsulfanyl)-5-nitro-2,3-dihydroinden-1-ylidene]amino]guanidine

Systemtic Name: 2-[(E)-[2-(1H-benzimidazol-2-ylsulfanyl)-5-nitro-2,3-dihydroinden-1-ylidene]amino]guanidine Openeye Name: 2-[(E)-[2-(1H-benzimidazol-2-ylsulfanyl)-5-nitro-indan-1-ylidene]amino]guanidine CAS Name: 2-[(E)-[2-(1H-benzimidazol-2-ylthio)-5-nitro-2,3-dihydroinden-1-ylidene]amino]guanidine IUPAC Name: 2-[(E)-[2-(1H-benzimidazol-2-ylsulfanyl)-5-nitro-2,3-dihydroinden-1-ylidene]amino]guanidine Traditional Name: 2-[(E)-[2-(1H-benzimidazol-2-ylthio)-5-nitro-indan-1-ylidene]amino]guanidine Formula: C17H15N7O2S MolecularWeight: 381.4117

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=NN=C(N)N)C2=C1C=C(C=C2)[N+](=O)[O-])SC3=NC4=CC=CC=C4N3

Isomeric SMILES

C1C(/C(=N/N=C(N)N)/C2=C1C=C(C=C2)[N+](=O)[O-])SC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C17H15N7O2S/c18-16(19)23-22-15-11-6-5-10(24(25)26)7-9(11)8-14(15)27-17-20-12-3-1-2-4-13(12)21-17/h1-7,14H,8H2,(H,20,21)(H4,18,19,23)/b22-15+