3-[(4-azanyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-nitrophenyl)propanamide

Systemtic Name: 3-[(4-azanyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-nitrophenyl)propanamide Openeye Name: 3-[(4-amino-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-nitrophenyl)propanamide CAS Name: 3-[(4-amino-5-phenethyl-1,2,4-triazol-3-yl)thio]-N-(2-nitrophenyl)propanamide IUPAC Name: 3-[(4-amino-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-nitrophenyl)propanamide Traditional Name: 3-[(4-amino-5-phenethyl-1,2,4-triazol-3-yl)thio]-N-(2-nitrophenyl)propionamide Formula: C19H20N6O3S MolecularWeight: 412.4655

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=NN=C(N2N)SCCC(=O)NC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCC2=NN=C(N2N)SCCC(=O)NC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C19H20N6O3S/c20-24-17(11-10-14-6-2-1-3-7-14)22-23-19(24)29-13-12-18(26)21-15-8-4-5-9-16(15)25(27)28/h1-9H,10-13,20H2,(H,21,26)