4-(5-bromanylthiophen-2-yl)-3-[(E)-(4-butoxyphenyl)methylideneamino]-N-prop-2-enyl-1,3-thiazol-2-imine

Systemtic Name: 4-(5-bromanylthiophen-2-yl)-3-[(E)-(4-butoxyphenyl)methylideneamino]-N-prop-2-enyl-1,3-thiazol-2-imine Openeye Name: N-allyl-4-(5-bromo-2-thienyl)-3-[(E)-(4-butoxyphenyl)methyleneamino]thiazol-2-imine CAS Name: 4-(5-bromo-2-thiophenyl)-3-[(E)-(4-butoxyphenyl)methylideneamino]-N-prop-2-enyl-2-thiazolimine IUPAC Name: 4-(5-bromothiophen-2-yl)-3-[(E)-(4-butoxyphenyl)methylideneamino]-N-prop-2-enyl-1,3-thiazol-2-imine Traditional Name: allyl-[4-(5-bromo-2-thienyl)-3-[(E)-(4-butoxybenzylidene)amino]-4-thiazolin-2-ylidene]amine Formula: C21H22BrN3OS2 MolecularWeight: 476.45288

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C=NN2C(=CSC2=NCC=C)C3=CC=C(S3)Br

Isomeric SMILES

CCCCOC1=CC=C(C=C1)/C=N/N2C(=CSC2=NCC=C)C3=CC=C(S3)Br

InChI

InChI=1S/C21H22BrN3OS2/c1-3-5-13-26-17-8-6-16(7-9-17)14-24-25-18(19-10-11-20(22)28-19)15-27-21(25)23-12-4-2/h4,6-11,14-15H,2-3,5,12-13H2,1H3/b23-21?,24-14+