2-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfinylmethyl]aniline hydrate

Systemtic Name: 2-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfinylmethyl]aniline hydrate Openeye Name: 2-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfinylmethyl]aniline hydrate CAS Name: 2-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfinylmethyl]aniline hydrate IUPAC Name: 2-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfinylmethyl]aniline hydrate Traditional Name: [2-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfinylmethyl]phenyl]amine hydrate Formula: C16H19N3O2S MolecularWeight: 317.40596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N=C(N2)S(=O)CC3=CC=CC=C3N.O

Isomeric SMILES

CC1=CC2=C(C=C1C)N=C(N2)S(=O)CC3=CC=CC=C3N.O

InChI

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