[1-[[4-(phenylmethyl)-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl]methyl]piperidin-4-yl]-pyrrolidin-1-yl-methanone

Systemtic Name: [1-[[4-(phenylmethyl)-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl]methyl]piperidin-4-yl]-pyrrolidin-1-yl-methanone Openeye Name: [1-[[4-benzyl-3-(2-thienyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-4-piperidyl]-pyrrolidin-1-yl-methanone CAS Name: [1-[[4-(phenylmethyl)-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl]methyl]-4-piperidinyl]-(1-pyrrolidinyl)methanone IUPAC Name: [1-[(4-benzyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone Traditional Name: [1-[[4-benzyl-3-(2-thienyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-4-piperidyl]-pyrrolidino-methanone Formula: C24H29N5OS2 MolecularWeight: 467.64996

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2CCN(CC2)CN3C(=S)N(C(=N3)C4=CC=CS4)CC5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)C(=O)C2CCN(CC2)CN3C(=S)N(C(=N3)C4=CC=CS4)CC5=CC=CC=C5

InChI

InChI=1S/C24H29N5OS2/c30-23(27-12-4-5-13-27)20-10-14-26(15-11-20)18-29-24(31)28(17-19-7-2-1-3-8-19)22(25-29)21-9-6-16-32-21/h1-3,6-9,16,20H,4-5,10-15,17-18H2