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

Systemtic Name: 3-[4-(2-methylpropyl)-1-[(4-phenylpiperazin-1-yl)methyl]-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[4-isobutyl-1-[(4-phenylpiperazin-1-yl)methyl]-5-thioxo-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[4-(2-methylpropyl)-1-[(4-phenyl-1-piperazinyl)methyl]-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[4-(2-methylpropyl)-1-[(4-phenylpiperazin-1-yl)methyl]-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[4-isobutyl-1-[(4-phenylpiperazino)methyl]-5-thioxo-1,2,4-triazol-3-yl]propionamide Formula: C20H30N6OS MolecularWeight: 402.5568

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=NN(C1=S)CN2CCN(CC2)C3=CC=CC=C3)CCC(=O)N

Isomeric SMILES

CC(C)CN1C(=NN(C1=S)CN2CCN(CC2)C3=CC=CC=C3)CCC(=O)N

InChI

InChI=1S/C20H30N6OS/c1-16(2)14-25-19(9-8-18(21)27)22-26(20(25)28)15-23-10-12-24(13-11-23)17-6-4-3-5-7-17/h3-7,16H,8-15H2,1-2H3,(H2,21,27)