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

Systemtic Name: 2-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)propanamide Openeye Name: 2-[[5-(m-tolyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)propanamide CAS Name: 2-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]thio]-N-(4-nitrophenyl)propanamide IUPAC Name: 2-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)propanamide Traditional Name: 2-[[5-(m-tolyl)-4-propyl-1,2,4-triazol-3-yl]thio]-N-(4-nitrophenyl)propionamide Formula: C21H23N5O3S MolecularWeight: 425.50402

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SC(C)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C3=CC(=CC=C3)C

Isomeric SMILES

CCCN1C(=NN=C1SC(C)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C3=CC(=CC=C3)C

InChI

InChI=1S/C21H23N5O3S/c1-4-12-25-19(16-7-5-6-14(2)13-16)23-24-21(25)30-15(3)20(27)22-17-8-10-18(11-9-17)26(28)29/h5-11,13,15H,4,12H2,1-3H3,(H,22,27)