2-[[4-azanyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(oxolan-2-ylmethyl)propanamide

Systemtic Name: 2-[[4-azanyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(oxolan-2-ylmethyl)propanamide Openeye Name: 2-[[4-amino-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(tetrahydrofuran-2-ylmethyl)propanamide CAS Name: 2-[[4-amino-5-(1-naphthalenylmethyl)-1,2,4-triazol-3-yl]thio]-N-(2-oxolanylmethyl)propanamide IUPAC Name: 2-[[4-amino-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(oxolan-2-ylmethyl)propanamide Traditional Name: 2-[[4-amino-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl]thio]-N-(tetrahydrofurfuryl)propionamide Formula: C21H25N5O2S MolecularWeight: 411.5205

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1CCCO1)SC2=NN=C(N2N)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC(C(=O)NCC1CCCO1)SC2=NN=C(N2N)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C21H25N5O2S/c1-14(20(27)23-13-17-9-5-11-28-17)29-21-25-24-19(26(21)22)12-16-8-4-7-15-6-2-3-10-18(15)16/h2-4,6-8,10,14,17H,5,9,11-13,22H2,1H3,(H,23,27)