4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N,N-dipropyl-benzamide

Systemtic Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N,N-dipropyl-benzamide Openeye Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N,N-dipropyl-benzamide CAS Name: 4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-N,N-dipropylbenzamide IUPAC Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N,N-dipropylbenzamide Traditional Name: 4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-N,N-dipropyl-benzamide Formula: C16H21N5O3S MolecularWeight: 363.43464

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C(=O)C1=CC(=C(C=C1)SC2=NN=CN2C)[N+](=O)[O-]

Isomeric SMILES

CCCN(CCC)C(=O)C1=CC(=C(C=C1)SC2=NN=CN2C)[N+](=O)[O-]

InChI

InChI=1S/C16H21N5O3S/c1-4-8-20(9-5-2)15(22)12-6-7-14(13(10-12)21(23)24)25-16-18-17-11-19(16)3/h6-7,10-11H,4-5,8-9H2,1-3H3