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

Systemtic Name: 2-[[4-azanyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylpropylcarbamoyl)propanamide Openeye Name: 2-[[4-amino-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(isobutylcarbamoyl)propanamide CAS Name: 2-[[4-amino-5-(1-naphthalenylmethyl)-1,2,4-triazol-3-yl]thio]-N-[(2-methylpropylamino)-oxomethyl]propanamide IUPAC Name: 2-[[4-amino-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylpropylcarbamoyl)propanamide Traditional Name: 2-[[4-amino-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl]thio]-N-(isobutylcarbamoyl)propionamide Formula: C21H26N6O2S MolecularWeight: 426.53514

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)NC(=O)C(C)SC1=NN=C(N1N)CC2=CC=CC3=CC=CC=C32

Isomeric SMILES

CC(C)CNC(=O)NC(=O)C(C)SC1=NN=C(N1N)CC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C21H26N6O2S/c1-13(2)12-23-20(29)24-19(28)14(3)30-21-26-25-18(27(21)22)11-16-9-6-8-15-7-4-5-10-17(15)16/h4-10,13-14H,11-12,22H2,1-3H3,(H2,23,24,28,29)