(2R)-2-(4-methyl-1,3-thiazol-2-yl)-4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-3-oxidanylidene-butanenitrile

Systemtic Name: (2R)-2-(4-methyl-1,3-thiazol-2-yl)-4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-3-oxidanylidene-butanenitrile Openeye Name: (2R)-2-(4-methylthiazol-2-yl)-4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-3-oxo-butanenitrile CAS Name: (2R)-2-(4-methyl-2-thiazolyl)-4-[(6-nitro-1,3-benzothiazol-2-yl)thio]-3-oxobutanenitrile IUPAC Name: (2R)-2-(4-methyl-1,3-thiazol-2-yl)-4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-3-oxobutanenitrile Traditional Name: (2R)-3-keto-2-(4-methylthiazol-2-yl)-4-[(6-nitro-1,3-benzothiazol-2-yl)thio]butyronitrile Formula: C15H10N4O3S3 MolecularWeight: 390.4599

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)C(C#N)C(=O)CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CSC(=N1)[C@H](C#N)C(=O)CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H10N4O3S3/c1-8-6-23-14(17-8)10(5-16)12(20)7-24-15-18-11-3-2-9(19(21)22)4-13(11)25-15/h2-4,6,10H,7H2,1H3/t10-/m1/s1