N-methyl-2-[[4-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(thiophen-3-ylmethyl)ethanamide

Systemtic Name: N-methyl-2-[[4-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(thiophen-3-ylmethyl)ethanamide Openeye Name: N-methyl-2-[[4-(p-tolyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-thienylmethyl)acetamide CAS Name: N-methyl-2-[[4-(4-methylphenyl)-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]-N-(3-thiophenylmethyl)acetamide IUPAC Name: N-methyl-2-[[4-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(thiophen-3-ylmethyl)acetamide Traditional Name: N-methyl-2-[[4-(p-tolyl)-5-pyrrolidino-1,2,4-triazol-3-yl]thio]-N-(3-thenyl)acetamide Formula: C21H25N5OS2 MolecularWeight: 427.5861

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N(C)CC3=CSC=C3)N4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N(C)CC3=CSC=C3)N4CCCC4

InChI

InChI=1S/C21H25N5OS2/c1-16-5-7-18(8-6-16)26-20(25-10-3-4-11-25)22-23-21(26)29-15-19(27)24(2)13-17-9-12-28-14-17/h5-9,12,14H,3-4,10-11,13,15H2,1-2H3