2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methyl-3-nitro-phenyl)ethanamide

Systemtic Name: 2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methyl-3-nitro-phenyl)ethanamide Openeye Name: 2-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-3-nitro-phenyl)acetamide CAS Name: 2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-N-(4-methyl-3-nitrophenyl)acetamide IUPAC Name: 2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methyl-3-nitrophenyl)acetamide Traditional Name: 2-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-N-(4-methyl-3-nitro-phenyl)acetamide Formula: C18H17N5O3S2 MolecularWeight: 415.48928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2C3CC3)C4=CC=CS4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2C3CC3)C4=CC=CS4)[N+](=O)[O-]

InChI

InChI=1S/C18H17N5O3S2/c1-11-4-5-12(9-14(11)23(25)26)19-16(24)10-28-18-21-20-17(15-3-2-8-27-15)22(18)13-6-7-13/h2-5,8-9,13H,6-7,10H2,1H3,(H,19,24)