4-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide

Systemtic Name: 4-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide Openeye Name: 4-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide CAS Name: 4-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]-3-nitrobenzamide IUPAC Name: 4-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzamide Traditional Name: 4-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]-3-nitro-benzamide Formula: C18H15N5O3S MolecularWeight: 381.4084

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC(=NN2C3=CC=CC=C3)SC4=C(C=C(C=C4)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1CC1C2=NC(=NN2C3=CC=CC=C3)SC4=C(C=C(C=C4)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C18H15N5O3S/c19-16(24)12-8-9-15(14(10-12)23(25)26)27-18-20-17(11-6-7-11)22(21-18)13-4-2-1-3-5-13/h1-5,8-11H,6-7H2,(H2,19,24)