phenyl 4-(dimethylamino)-5-oxidanylidene-3-(propylamino)-1,2,4-triazole-1-carboxylate

Systemtic Name: phenyl 4-(dimethylamino)-5-oxidanylidene-3-(propylamino)-1,2,4-triazole-1-carboxylate Openeye Name: phenyl 4-(dimethylamino)-5-oxo-3-(propylamino)-1,2,4-triazole-1-carboxylate CAS Name: 4-(dimethylamino)-5-oxo-3-(propylamino)-1,2,4-triazole-1-carboxylic acid phenyl ester IUPAC Name: phenyl 4-(dimethylamino)-5-oxo-3-(propylamino)-1,2,4-triazole-1-carboxylate Traditional Name: 4-(dimethylamino)-5-keto-3-(propylamino)-1,2,4-triazole-1-carboxylic acid phenyl ester Formula: C14H19N5O3 MolecularWeight: 305.33236

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NN(C(=O)N1N(C)C)C(=O)OC2=CC=CC=C2

Isomeric SMILES

CCCNC1=NN(C(=O)N1N(C)C)C(=O)OC2=CC=CC=C2

InChI

InChI=1S/C14H19N5O3/c1-4-10-15-12-16-18(13(20)19(12)17(2)3)14(21)22-11-8-6-5-7-9-11/h5-9H,4,10H2,1-3H3,(H,15,16)