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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=C2)NC=C(C#N)C3=NC(=CS3)C4=CC=C(C=C4)[N+](=O)[O-])N=C1

Isomeric SMILES

C1=CC2=C(C=CC(=C2)NC=C(C#N)C3=NC(=CS3)C4=CC=C(C=C4)[N+](=O)[O-])N=C1

InChI

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