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

Systemtic Name: [1-[[3-methyl-4-(phenylmethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidin-4-yl]-pyrrolidin-1-yl-methanone Openeye Name: [1-[(4-benzyl-3-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl]-4-piperidyl]-pyrrolidin-1-yl-methanone CAS Name: [1-[[3-methyl-4-(phenylmethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-4-piperidinyl]-(1-pyrrolidinyl)methanone IUPAC Name: [1-[(4-benzyl-3-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone Traditional Name: [1-[(4-benzyl-3-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl]-4-piperidyl]-pyrrolidino-methanone Formula: C21H29N5OS MolecularWeight: 399.55286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=S)N1CC2=CC=CC=C2)CN3CCC(CC3)C(=O)N4CCCC4

Isomeric SMILES

CC1=NN(C(=S)N1CC2=CC=CC=C2)CN3CCC(CC3)C(=O)N4CCCC4

InChI

InChI=1S/C21H29N5OS/c1-17-22-26(21(28)25(17)15-18-7-3-2-4-8-18)16-23-13-9-19(10-14-23)20(27)24-11-5-6-12-24/h2-4,7-8,19H,5-6,9-16H2,1H3