2-[(4-azanyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[1-(phenylmethyl)pyrrolidin-3-yl]ethanamide

Systemtic Name: 2-[(4-azanyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[1-(phenylmethyl)pyrrolidin-3-yl]ethanamide Openeye Name: 2-[[4-amino-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-benzylpyrrolidin-3-yl)acetamide CAS Name: 2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-N-[1-(phenylmethyl)-3-pyrrolidinyl]acetamide IUPAC Name: 2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-benzylpyrrolidin-3-yl)acetamide Traditional Name: 2-[[4-amino-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-N-(1-benzylpyrrolidin-3-yl)acetamide Formula: C19H22N6OS2 MolecularWeight: 414.54758

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1NC(=O)CSC2=NN=C(N2N)C3=CC=CS3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC1NC(=O)CSC2=NN=C(N2N)C3=CC=CS3)CC4=CC=CC=C4

InChI

InChI=1S/C19H22N6OS2/c20-25-18(16-7-4-10-27-16)22-23-19(25)28-13-17(26)21-15-8-9-24(12-15)11-14-5-2-1-3-6-14/h1-7,10,15H,8-9,11-13,20H2,(H,21,26)