2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-3-[(2-propan-2-ylphenyl)amino]prop-2-enenitrile

Systemtic Name: 2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-3-[(2-propan-2-ylphenyl)amino]prop-2-enenitrile Openeye Name: 3-(2-isopropylanilino)-2-[4-(3-nitrophenyl)thiazol-2-yl]prop-2-enenitrile CAS Name: 2-[4-(3-nitrophenyl)-2-thiazolyl]-3-(2-propan-2-ylanilino)-2-propenenitrile IUPAC Name: 2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-3-(2-propan-2-ylanilino)prop-2-enenitrile Traditional Name: 3-(2-isopropylanilino)-2-[4-(3-nitrophenyl)thiazol-2-yl]acrylonitrile Formula: C21H18N4O2S MolecularWeight: 390.45822

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC=C(C#N)C2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=CC=C1NC=C(C#N)C2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H18N4O2S/c1-14(2)18-8-3-4-9-19(18)23-12-16(11-22)21-24-20(13-28-21)15-6-5-7-17(10-15)25(26)27/h3-10,12-14,23H,1-2H3