ethyl 2-[4-methyl-1-[(4-phenylpiperazin-1-yl)methyl]-5-sulfanylidene-1,2,4-triazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[4-methyl-1-[(4-phenylpiperazin-1-yl)methyl]-5-sulfanylidene-1,2,4-triazol-3-yl]ethanoate Openeye Name: ethyl 2-[4-methyl-1-[(4-phenylpiperazin-1-yl)methyl]-5-thioxo-1,2,4-triazol-3-yl]acetate CAS Name: 2-[4-methyl-1-[(4-phenyl-1-piperazinyl)methyl]-5-sulfanylidene-1,2,4-triazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-methyl-1-[(4-phenylpiperazin-1-yl)methyl]-5-sulfanylidene-1,2,4-triazol-3-yl]acetate Traditional Name: 2-[4-methyl-1-[(4-phenylpiperazino)methyl]-5-thioxo-1,2,4-triazol-3-yl]acetic acid ethyl ester Formula: C18H25N5O2S MolecularWeight: 375.4884

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=NN(C(=S)N1C)CN2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CC1=NN(C(=S)N1C)CN2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C18H25N5O2S/c1-3-25-17(24)13-16-19-23(18(26)20(16)2)14-21-9-11-22(12-10-21)15-7-5-4-6-8-15/h4-8H,3,9-14H2,1-2H3