2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanylmethyl]aniline hydrate

Systemtic Name: 2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanylmethyl]aniline hydrate Openeye Name: 2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanylmethyl]aniline hydrate CAS Name: 2-[[(6-ethoxy-1H-benzimidazol-2-yl)thio]methyl]aniline hydrate IUPAC Name: 2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanylmethyl]aniline hydrate Traditional Name: [2-[[(6-ethoxy-1H-benzimidazol-2-yl)thio]methyl]phenyl]amine hydrate Formula: C16H19N3O2S MolecularWeight: 317.40596

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(N2)SCC3=CC=CC=C3N.O

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(N2)SCC3=CC=CC=C3N.O

InChI

InChI=1S/C16H17N3OS.H2O/c1-2-20-12-7-8-14-15(9-12)19-16(18-14)21-10-11-5-3-4-6-13(11)17;/h3-9H,2,10,17H2,1H3,(H,18,19);1H2