1-[[4-methyl-3-(2-methylfuran-3-yl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-N-(phenylmethyl)piperidine-4-carboxamide

Systemtic Name: 1-[[4-methyl-3-(2-methylfuran-3-yl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-N-(phenylmethyl)piperidine-4-carboxamide Openeye Name: N-benzyl-1-[[4-methyl-3-(2-methyl-3-furyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperidine-4-carboxamide CAS Name: 1-[[4-methyl-3-(2-methyl-3-furanyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-N-(phenylmethyl)-4-piperidinecarboxamide IUPAC Name: N-benzyl-1-[[4-methyl-3-(2-methylfuran-3-yl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidine-4-carboxamide Traditional Name: N-benzyl-1-[[4-methyl-3-(2-methyl-3-furyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]isonipecotamide Formula: C22H27N5O2S MolecularWeight: 425.54708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C2=NN(C(=S)N2C)CN3CCC(CC3)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CO1)C2=NN(C(=S)N2C)CN3CCC(CC3)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C22H27N5O2S/c1-16-19(10-13-29-16)20-24-27(22(30)25(20)2)15-26-11-8-18(9-12-26)21(28)23-14-17-6-4-3-5-7-17/h3-7,10,13,18H,8-9,11-12,14-15H2,1-2H3,(H,23,28)