1-[4-[4-[(3-methyl-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-1-yl]phenyl]ethanone

Systemtic Name: 1-[4-[4-[(3-methyl-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-[(4-allyl-3-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperazin-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-[(3-methyl-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-1-piperazinyl]phenyl]ethanone IUPAC Name: 1-[4-[4-[(3-methyl-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-[(4-allyl-3-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperazino]phenyl]ethanone Formula: C19H25N5OS MolecularWeight: 371.4997

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=S)N1CC=C)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)C

Isomeric SMILES

CC1=NN(C(=S)N1CC=C)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C19H25N5OS/c1-4-9-23-16(3)20-24(19(23)26)14-21-10-12-22(13-11-21)18-7-5-17(6-8-18)15(2)25/h4-8H,1,9-14H2,2-3H3