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

Systemtic Name: 3-[(4-butylphenyl)amino]-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile Openeye Name: 3-(4-butylanilino)-2-[4-(3-nitrophenyl)thiazol-2-yl]prop-2-enenitrile CAS Name: 3-(4-butylanilino)-2-[4-(3-nitrophenyl)-2-thiazolyl]-2-propenenitrile IUPAC Name: 3-(4-butylanilino)-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile Traditional Name: 3-(4-butylanilino)-2-[4-(3-nitrophenyl)thiazol-2-yl]acrylonitrile Formula: C22H20N4O2S MolecularWeight: 404.4848

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC=C(C#N)C2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC=C(C#N)C2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H20N4O2S/c1-2-3-5-16-8-10-19(11-9-16)24-14-18(13-23)22-25-21(15-29-22)17-6-4-7-20(12-17)26(27)28/h4,6-12,14-15,24H,2-3,5H2,1H3