4-(1-benzofuran-2-yl)-3-(butan-2-ylideneamino)-N-(2-nitrophenyl)-1,3-thiazol-2-imine

Systemtic Name: 4-(1-benzofuran-2-yl)-3-(butan-2-ylideneamino)-N-(2-nitrophenyl)-1,3-thiazol-2-imine Openeye Name: 4-(benzofuran-2-yl)-3-(1-methylpropylideneamino)-N-(2-nitrophenyl)thiazol-2-imine CAS Name: 4-(2-benzofuranyl)-3-(butan-2-ylideneamino)-N-(2-nitrophenyl)-2-thiazolimine IUPAC Name: 4-(1-benzofuran-2-yl)-3-(butan-2-ylideneamino)-N-(2-nitrophenyl)-1,3-thiazol-2-imine Traditional Name: [4-(benzofuran-2-yl)-3-(1-methylpropylideneamino)-4-thiazolin-2-ylidene]-(2-nitrophenyl)amine Formula: C21H18N4O3S MolecularWeight: 406.45762

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=NN1C(=CSC1=NC2=CC=CC=C2[N+](=O)[O-])C3=CC4=CC=CC=C4O3)C

Isomeric SMILES

CCC(=NN1C(=CSC1=NC2=CC=CC=C2[N+](=O)[O-])C3=CC4=CC=CC=C4O3)C

InChI

InChI=1S/C21H18N4O3S/c1-3-14(2)23-24-18(20-12-15-8-4-7-11-19(15)28-20)13-29-21(24)22-16-9-5-6-10-17(16)25(26)27/h4-13H,3H2,1-2H3