4-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide

Systemtic Name: 4-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide Openeye Name: 4-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide CAS Name: 4-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-3-nitrobenzamide IUPAC Name: 4-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzamide Traditional Name: 4-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-3-nitro-benzamide Formula: C18H21N5O3S MolecularWeight: 387.45604

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])C3CCCCC3

Isomeric SMILES

C=CCN1C(=NN=C1SC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])C3CCCCC3

InChI

InChI=1S/C18H21N5O3S/c1-2-10-22-17(12-6-4-3-5-7-12)20-21-18(22)27-15-9-8-13(16(19)24)11-14(15)23(25)26/h2,8-9,11-12H,1,3-7,10H2,(H2,19,24)