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

Systemtic Name: 3-[(3-butoxyphenyl)amino]-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile Openeye Name: 3-(3-butoxyanilino)-2-[4-(3-nitrophenyl)thiazol-2-yl]prop-2-enenitrile CAS Name: 3-(3-butoxyanilino)-2-[4-(3-nitrophenyl)-2-thiazolyl]-2-propenenitrile IUPAC Name: 3-(3-butoxyanilino)-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile Traditional Name: 3-(3-butoxyanilino)-2-[4-(3-nitrophenyl)thiazol-2-yl]acrylonitrile Formula: C22H20N4O3S MolecularWeight: 420.4842

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)NC=C(C#N)C2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=CC=CC(=C1)NC=C(C#N)C2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H20N4O3S/c1-2-3-10-29-20-9-5-7-18(12-20)24-14-17(13-23)22-25-21(15-30-22)16-6-4-8-19(11-16)26(27)28/h4-9,11-12,14-15,24H,2-3,10H2,1H3