(E)-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-3-(quinolin-6-ylamino)prop-2-enenitrile

Systemtic Name: (E)-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-3-(quinolin-6-ylamino)prop-2-enenitrile Openeye Name: (E)-2-[4-(3-nitrophenyl)thiazol-2-yl]-3-(6-quinolylamino)prop-2-enenitrile CAS Name: (E)-2-[4-(3-nitrophenyl)-2-thiazolyl]-3-(6-quinolinylamino)-2-propenenitrile IUPAC Name: (E)-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-3-(quinolin-6-ylamino)prop-2-enenitrile Traditional Name: (E)-2-[4-(3-nitrophenyl)thiazol-2-yl]-3-(6-quinolylamino)acrylonitrile Formula: C21H13N5O2S MolecularWeight: 399.42522

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C2=CSC(=N2)C(=CNC3=CC4=C(C=C3)N=CC=C4)C#N

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C2=CSC(=N2)/C(=C/NC3=CC4=C(C=C3)N=CC=C4)/C#N

InChI

InChI=1S/C21H13N5O2S/c22-11-16(12-24-17-6-7-19-14(9-17)4-2-8-23-19)21-25-20(13-29-21)15-3-1-5-18(10-15)26(27)28/h1-10,12-13,24H/b16-12+