(4R,5R)-2-azanylidene-5-(4-bromophenyl)carbonyl-4-thiophen-2-yl-thiolane-3-carbonitrile

Systemtic Name: (4R,5R)-2-azanylidene-5-(4-bromophenyl)carbonyl-4-thiophen-2-yl-thiolane-3-carbonitrile Openeye Name: (4R,5R)-5-(4-bromobenzoyl)-2-imino-4-(2-thienyl)tetrahydrothiophene-3-carbonitrile CAS Name: (4R,5R)-5-[(4-bromophenyl)-oxomethyl]-2-imino-4-thiophen-2-yl-3-thiolanecarbonitrile IUPAC Name: (4R,5R)-5-(4-bromobenzoyl)-2-imino-4-thiophen-2-ylthiolane-3-carbonitrile Traditional Name: (4R,5R)-5-(4-bromobenzoyl)-2-imino-4-(2-thienyl)tetrahydrothiophene-3-carbonitrile Formula: C16H11BrN2OS2 MolecularWeight: 391.30534

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2C(C(=N)SC2C(=O)C3=CC=C(C=C3)Br)C#N

Isomeric SMILES

C1=CSC(=C1)[C@H]2[C@@H](SC(=N)C2C#N)C(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C16H11BrN2OS2/c17-10-5-3-9(4-6-10)14(20)15-13(12-2-1-7-21-12)11(8-18)16(19)22-15/h1-7,11,13,15,19H/t11?,13-,15+/m0/s1