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

Systemtic Name: 2-[[4-azanyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methoxyphenyl)ethanamide Openeye Name: 2-[(4-amino-5-benzyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide CAS Name: 2-[[4-amino-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-N-(4-methoxyphenyl)acetamide IUPAC Name: 2-[(4-amino-5-benzyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide Traditional Name: 2-[(4-amino-5-benzyl-1,2,4-triazol-3-yl)thio]-N-(4-methoxyphenyl)acetamide Formula: C18H19N5O2S MolecularWeight: 369.44076

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2N)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2N)CC3=CC=CC=C3

InChI

InChI=1S/C18H19N5O2S/c1-25-15-9-7-14(8-10-15)20-17(24)12-26-18-22-21-16(23(18)19)11-13-5-3-2-4-6-13/h2-10H,11-12,19H2,1H3,(H,20,24)