N-[(E)-(4-ethoxyphenyl)methylideneamino]-6-methyl-4-(4-nitrophenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide

Systemtic Name: N-[(E)-(4-ethoxyphenyl)methylideneamino]-6-methyl-4-(4-nitrophenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Openeye Name: N-[(E)-(4-ethoxyphenyl)methyleneamino]-6-methyl-4-(4-nitrophenyl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide CAS Name: N-[(E)-(4-ethoxyphenyl)methylideneamino]-6-methyl-4-(4-nitrophenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide IUPAC Name: N-[(E)-(4-ethoxyphenyl)methylideneamino]-6-methyl-4-(4-nitrophenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Traditional Name: N-[(E)-(4-ethoxybenzylidene)amino]-6-methyl-4-(4-nitrophenyl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide Formula: C21H21N5O4S MolecularWeight: 439.48754

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C=NNC(=O)C2=C(NC(=S)NC2C3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CCOC1=CC=C(C=C1)/C=N/NC(=O)C2=C(NC(=S)NC2C3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C21H21N5O4S/c1-3-30-17-10-4-14(5-11-17)12-22-25-20(27)18-13(2)23-21(31)24-19(18)15-6-8-16(9-7-15)26(28)29/h4-12,19H,3H2,1-2H3,(H,25,27)(H2,23,24,31)/b22-12+