3-[(4-iodophenyl)amino]-2-[4-(6-nitro-2-oxidanylidene-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile

Systemtic Name: 3-[(4-iodophenyl)amino]-2-[4-(6-nitro-2-oxidanylidene-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile Openeye Name: 3-(4-iodoanilino)-2-[4-(6-nitro-2-oxo-chromen-3-yl)thiazol-2-yl]prop-2-enenitrile CAS Name: 3-(4-iodoanilino)-2-[4-(6-nitro-2-oxo-1-benzopyran-3-yl)-2-thiazolyl]-2-propenenitrile IUPAC Name: 3-(4-iodoanilino)-2-[4-(6-nitro-2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile Traditional Name: 3-(4-iodoanilino)-2-[4-(2-keto-6-nitro-chromen-3-yl)thiazol-2-yl]acrylonitrile Formula: C21H11IN4O4S MolecularWeight: 542.30591

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC=C(C#N)C2=NC(=CS2)C3=CC4=C(C=CC(=C4)[N+](=O)[O-])OC3=O)I

Isomeric SMILES

C1=CC(=CC=C1NC=C(C#N)C2=NC(=CS2)C3=CC4=C(C=CC(=C4)[N+](=O)[O-])OC3=O)I

InChI

InChI=1S/C21H11IN4O4S/c22-14-1-3-15(4-2-14)24-10-13(9-23)20-25-18(11-31-20)17-8-12-7-16(26(28)29)5-6-19(12)30-21(17)27/h1-8,10-11,24H