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

Systemtic Name: 2-[[4-azanyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(ethylcarbamoyl)propanamide Openeye Name: 2-[[4-amino-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(ethylcarbamoyl)propanamide CAS Name: 2-[[4-amino-5-(1-naphthalenylmethyl)-1,2,4-triazol-3-yl]thio]-N-(ethylcarbamoyl)propanamide IUPAC Name: 2-[[4-amino-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(ethylcarbamoyl)propanamide Traditional Name: 2-[[4-amino-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl]thio]-N-(ethylcarbamoyl)propionamide Formula: C19H22N6O2S MolecularWeight: 398.48198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N6O2S/c1-3-21-18(27)22-17(26)12(2)28-19-24-23-16(25(19)20)11-14-9-6-8-13-7-4-5-10-15(13)14/h4-10,12H,3,11,20H2,1-2H3,(H2,21,22,26,27)