N'-[(2-nitro-3-phenyl-1-benzofuran-5-yl)methylsulfanyl]methanimidamide hydrate hydrochloride

Systemtic Name: N'-[(2-nitro-3-phenyl-1-benzofuran-5-yl)methylsulfanyl]methanimidamide hydrate hydrochloride Openeye Name: N'-[(2-nitro-3-phenyl-benzofuran-5-yl)methylsulfanyl]formamidine hydrate hydrochloride CAS Name: N'-[(2-nitro-3-phenyl-5-benzofuranyl)methylthio]methanimidamide hydrate hydrochloride IUPAC Name: N'-[(2-nitro-3-phenyl-1-benzofuran-5-yl)methylsulfanyl]methanimidamide hydrate hydrochloride Traditional Name: N'-[(2-nitro-3-phenyl-benzofuran-5-yl)methylthio]formamidine hydrate hydrochloride Formula: C16H16ClN3O4S MolecularWeight: 381.83394

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(OC3=C2C=C(C=C3)CSN=CN)[N+](=O)[O-].O.Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=C(OC3=C2C=C(C=C3)CS/N=C/N)[N+](=O)[O-].O.Cl

InChI

InChI=1S/C16H13N3O3S.ClH.H2O/c17-10-18-23-9-11-6-7-14-13(8-11)15(16(22-14)19(20)21)12-4-2-1-3-5-12;;/h1-8,10H,9H2,(H2,17,18);1H;1H2