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

Systemtic Name: 3-[(4-butylphenyl)amino]-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile Openeye Name: 3-(4-butylanilino)-2-[4-(4-chlorophenyl)thiazol-2-yl]prop-2-enenitrile CAS Name: 3-(4-butylanilino)-2-[4-(4-chlorophenyl)-2-thiazolyl]-2-propenenitrile IUPAC Name: 3-(4-butylanilino)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile Traditional Name: 3-(4-butylanilino)-2-[4-(4-chlorophenyl)thiazol-2-yl]acrylonitrile Formula: C22H20ClN3S MolecularWeight: 393.9323

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC=C(C#N)C2=NC(=CS2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC=C(C#N)C2=NC(=CS2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H20ClN3S/c1-2-3-4-16-5-11-20(12-6-16)25-14-18(13-24)22-26-21(15-27-22)17-7-9-19(23)10-8-17/h5-12,14-15,25H,2-4H2,1H3