3-(2-azanylethylsulfanyl)-5-chloranyl-1,2-benzoxazole-7-carbonitrile

Systemtic Name: 3-(2-azanylethylsulfanyl)-5-chloranyl-1,2-benzoxazole-7-carbonitrile Openeye Name: 3-(2-aminoethylsulfanyl)-5-chloro-1,2-benzoxazole-7-carbonitrile CAS Name: 3-(2-aminoethylthio)-5-chloro-1,2-benzoxazole-7-carbonitrile IUPAC Name: 3-(2-aminoethylsulfanyl)-5-chloro-1,2-benzoxazole-7-carbonitrile Traditional Name: 3-(2-aminoethylthio)-5-chloro-indoxazene-7-carbonitrile Formula: C10H8ClN3OS MolecularWeight: 253.70802

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C2=C1C(=NO2)SCCN)C#N)Cl

Isomeric SMILES

C1=C(C=C(C2=C1C(=NO2)SCCN)C#N)Cl

InChI

InChI=1S/C10H8ClN3OS/c11-7-3-6(5-13)9-8(4-7)10(14-15-9)16-2-1-12/h3-4H,1-2,12H2