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

Systemtic Name: 3-[(3,4-dimethoxyphenyl)amino]-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile Openeye Name: 3-(3,4-dimethoxyanilino)-2-[4-(4-nitrophenyl)thiazol-2-yl]prop-2-enenitrile CAS Name: 3-(3,4-dimethoxyanilino)-2-[4-(4-nitrophenyl)-2-thiazolyl]-2-propenenitrile IUPAC Name: 3-(3,4-dimethoxyanilino)-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile Traditional Name: 3-(3,4-dimethoxyanilino)-2-[4-(4-nitrophenyl)thiazol-2-yl]acrylonitrile Formula: C20H16N4O4S MolecularWeight: 408.43044

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC=C(C#N)C2=NC(=CS2)C3=CC=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC=C(C#N)C2=NC(=CS2)C3=CC=C(C=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C20H16N4O4S/c1-27-18-8-5-15(9-19(18)28-2)22-11-14(10-21)20-23-17(12-29-20)13-3-6-16(7-4-13)24(25)26/h3-9,11-12,22H,1-2H3