(E)-3-[1-[(2-chloranyl-1,3-thiazol-5-yl)methyl]indol-3-yl]-2-methylsulfonyl-prop-2-enenitrile

Systemtic Name: (E)-3-[1-[(2-chloranyl-1,3-thiazol-5-yl)methyl]indol-3-yl]-2-methylsulfonyl-prop-2-enenitrile Openeye Name: (E)-3-[1-[(2-chlorothiazol-5-yl)methyl]indol-3-yl]-2-methylsulfonyl-prop-2-enenitrile CAS Name: (E)-3-[1-[(2-chloro-5-thiazolyl)methyl]-3-indolyl]-2-methylsulfonyl-2-propenenitrile IUPAC Name: (E)-3-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]indol-3-yl]-2-methylsulfonylprop-2-enenitrile Traditional Name: (E)-3-[1-[(2-chlorothiazol-5-yl)methyl]indol-3-yl]-2-mesyl-acrylonitrile Formula: C16H12ClN3O2S2 MolecularWeight: 377.86838

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C(=CC1=CN(C2=CC=CC=C21)CC3=CN=C(S3)Cl)C#N

Isomeric SMILES

CS(=O)(=O)/C(=C/C1=CN(C2=CC=CC=C21)CC3=CN=C(S3)Cl)/C#N

InChI

InChI=1S/C16H12ClN3O2S2/c1-24(21,22)13(7-18)6-11-9-20(10-12-8-19-16(17)23-12)15-5-3-2-4-14(11)15/h2-6,8-9H,10H2,1H3/b13-6+