2-(1H-imidazol-2-ylmethyl)-3-oxidanyl-2-prop-2-enyl-3H-1-benzothiophene-5-carbonitrile

Systemtic Name: 2-(1H-imidazol-2-ylmethyl)-3-oxidanyl-2-prop-2-enyl-3H-1-benzothiophene-5-carbonitrile Openeye Name: 2-allyl-3-hydroxy-2-(1H-imidazol-2-ylmethyl)-3H-benzothiophene-5-carbonitrile CAS Name: 3-hydroxy-2-(1H-imidazol-2-ylmethyl)-2-prop-2-enyl-3H-1-benzothiophene-5-carbonitrile IUPAC Name: 3-hydroxy-2-(1H-imidazol-2-ylmethyl)-2-prop-2-enyl-3H-1-benzothiophene-5-carbonitrile Traditional Name: 2-allyl-3-hydroxy-2-(1H-imidazol-2-ylmethyl)-3H-benzothiophene-5-carbonitrile Formula: C16H15N3OS MolecularWeight: 297.3748

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1(C(C2=C(S1)C=CC(=C2)C#N)O)CC3=NC=CN3

Isomeric SMILES

C=CCC1(C(C2=C(S1)C=CC(=C2)C#N)O)CC3=NC=CN3

InChI

InChI=1S/C16H15N3OS/c1-2-5-16(9-14-18-6-7-19-14)15(20)12-8-11(10-17)3-4-13(12)21-16/h2-4,6-8,15,20H,1,5,9H2,(H,18,19)